474	643	952	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	S	3:4:4:4:	4:3:3:	4:3:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O-1:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	S(C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]2)(O)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,6|H<1>}	S(C[5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]2)(O)2	107.3540	0.955	2	107.3540	0.911	2	107.3540	0.911	2	107.3540	0.911	2	107.3540	0.911	2	109.8022	11.083	5
474	643	952	0:SP3_SP2_SP3	C[5]	C[6a]	S	3:3:2:4:	4:3:3:	4:4:1:1:	C[6a]-3:C[5]-3:S[5]-2:S-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:O-1:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO)	C[6a](C[5]C[5]S[5]S)(C[6a]C[6a]H)2	S(C[5]C[6a]C[5]S[5])(CC[6a]HH)(O)2	C[5](C[6a]C[6a]2)(C[5]N[5]O)(S[5]C[5])(SCOO){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5]S)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	S(C[5]C[6a]C[5]S[5])(CC[6a]HH)(O)2	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.4343	11.721	3	109.8022	11.083	5
474	643	952	0:SP3_SP2_SP3	C[5]	C[6a]	S	3:3:3:4:	3:3:4:	4:4:1:1:	C[5]-3:C[5]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:O-1:O-1:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2S)	S(C[5]C[6a]C[5]2)(CH3)(O)2	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)(SCOO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[5]C[5]2S){2|O<1>,4|C<3>}	S(C[5]C[6a]C[5]2)(CH3)(O)2	115.0180	0.000	1	115.0180	0.000	1	115.0180	0.000	1	115.0180	0.000	1	111.4343	11.721	3	109.8022	11.083	5
474	643	952	0:SP3_SP2_SP3	C[5]	C[6a]	S	3:3:3:4:	4:3:3:	4:3:1:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]H)2	S(C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(O)2	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC[6a]OO){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2S)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	S(C[5]C[5,6a]2C[6a])(C[6a]C[6a]2)(O)2	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	111.4343	11.721	3	109.8022	11.083	5
474	643	955	0:SP3_SP2_SP3	C[5,4x6]	C[6a]	P[5,5,3x6]	4:4:3:3:	4:3:3:	4:4:2:1:	C[5,5x6]-4:P[5,5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5,4x6]-4:C[6a]-3:C[6a]-3:	C[5,4x6]-4:C[5,5x6]-4:O[5,5]-2:O-1:	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6,6])(C[6a]C[6a]H)2	P[5,5,3x6](C[5,4x6]C[5,5x6]C[6,6]C[6a])(C[5,5x6]C[5,4x6]C[5x6]C[6a])(O[5,5]P[5,5,3x6])(O)	C[5,4x6](C[5,5x6]P[5,5,3x6]C[5x6]C[6a])(P[5,5,3x6]C[5,5x6]O[5,5]O)(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,4x6]P[5,5,3x6]C[5,5x6]C[6,6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>,3|H<1>}	P[5,5,3x6](C[5,4x6]C[5,5x6]C[6,6]C[6a])(C[5,5x6]C[5,4x6]C[5x6]C[6a])(O[5,5]P[5,5,3x6])(O){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	110.8915	4.676	4	110.8915	21.868	4	110.8915	21.868	4	110.8915	21.868	4	110.8915	21.868	4	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5,5]	C[6a]	P[5,5]	4:4:3:3:	4:3:3:	4:3:2:1:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[6a,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:O[5]-2:O-1:	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	C[6a](C[5,5]C[5,5]P[5,5]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	P[5,5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5,5]C[5,5]P[5,5]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,1|P<4>,3|H<1>,6|C<3>}	P[5,5](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	116.4470	0.994	2	116.4470	0.988	2	116.4470	0.988	2	116.4470	0.988	2	116.4470	0.988	2	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5,5x6]	C[6a]	P[5,5,3x6]	4:4:4:3:	4:3:3:	4:4:2:1:	C[5,4x6]-4:P[5,5,3x6]-4:C[5x6]-4:C[6a]-3:	C[5,5x6]-4:C[6a]-3:C[6a]-3:	C[5,4x6]-4:C[5,5x6]-4:O[5,5]-2:O-1:	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[5,5x6]P[5,5,3x6]C[5,4x6]C[5x6])(C[6a]C[6a]H)2	P[5,5,3x6](C[5,4x6]C[5,5x6]C[6,6]C[6a])(C[5,5x6]C[5,4x6]C[5x6]C[6a])(O[5,5]P[5,5,3x6])(O)	C[5,5x6](C[5,4x6]P[5,5,3x6]C[6,6]C[6a])(P[5,5,3x6]C[5,4x6]O[5,5]O)(C[5x6]C[5x6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[5,5x6]P[5,5,3x6]C[5,4x6]C[5x6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,1|P<4>,2|C<4>,3|H<1>,4|C<3>}	P[5,5,3x6](C[5,4x6]C[5,5x6]C[6,6]C[6a])(C[5,5x6]C[5,4x6]C[5x6]C[6a])(O[5,5]P[5,5,3x6])(O){1|C<4>,1|O<1>,2|H<1>,8|C<3>}	113.9130	4.561	4	113.9130	20.806	4	113.9130	20.806	4	113.9130	20.806	4	113.9130	20.806	4	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	P[5]	3:3:2:4:	3:4:3:	4:2:4:4:	C[6,6a]-3:C[6]-3:O[5]-2:P[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]P[5])(C[6a]C[6a]H)	P[5](C[5,6]C[6,6a]C[6]O[5])(O[5]B[5,5a])(CC3)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]P[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6]C[6,6a]C[6]O[5])(O[5]B[5,5a])(CC3)2{1|O<1>,2|O<2>,3|C<3>}	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5,6]	C[6a]	P[5,5,6]	4:2:3:1:	4:3:3:	4:4:4:3:	P[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]P[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6]P[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|C<4>,2|H<1>}	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	115.7173	4.026	3	115.7173	16.205	3	115.7173	16.205	3	115.7173	16.205	3	115.8294	8.848	5	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5,6]	C[6a]	P[5,5,6]	4:4:3:1:	4:3:3:	4:4:4:1:	C[5,5,6]-4:P[5,5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,5]-4:C[5,6]-4:S-1:	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]P[5,5,6]H)(C[6a]C[6a]H)2	P[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(S)	C[5,6](C[5,5,6]C[3x5,6]O[5]C)(P[5,5,6]C[5,5]C[5,6]S)(C[6a]C[6a]2)(H){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6]C[5,5,6]P[5,5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<1>,2|H<1>,4|C<4>}	P[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(S){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	115.9975	1.699	2	115.9975	2.887	2	115.9975	2.887	2	115.9975	2.887	2	115.8294	8.848	5	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5,6]	C[6a]	P[5,6]	4:3:4:3:	4:3:3:	4:4:2:1:	P[5,6]-4:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:O[5]-2:S-1:	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H)	C[6a](C[5,6]P[5,6]C[5]C[6])(C[6a]C[6a]H)2	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(S)	C[5,6](P[5,6]C[6]O[5]S)(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]P[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<1>,3|C<3>,5|H<1>}	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(S){1|C<4>,3|H<1>,4|C<3>}	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5,6]	C[6a]	P[5]	4:2:3:4:	4:3:3:	4:3:2:1:	P[5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:Se[5]-2:Se-1:	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5,6]O[5,6]C[6]P[5])(C[6a]C[6a]H)2	P[5](C[5,6]O[5,6]C[6a]C[6])(C[6a]C[6a]2)(Se[5]C[5,6])(Se)	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]O[5,6]C[6]P[5])(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,2|C<3>,2|C<4>,4|H<1>}	P[5](C[5,6]O[5,6]C[6a]C[6])(C[6a]C[6a]2)(Se[5]C[5,6])(Se){2|C<4>,4|H<1>,5|C<3>}	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	109.3000	0.000	1	107.1713	3.436	3	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5,6]	C[6a]	P[5]	4:4:3:4:	4:3:3:	4:3:3:1:	C[5,6]-4:P[5]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5,6]C[5,6]C[6]P[5])(C[6a]C[6a]H)2	P[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6]C[6]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,5|C<3>,5|H<1>}	P[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O){1|C<4>,6|H<1>,7|C<3>}	106.1070	0.273	2	106.1070	0.074	2	106.1070	0.074	2	106.1070	0.074	2	107.1713	3.436	3	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	3:4:2:1:	4:3:2:	3:4:4:1:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:C-4:O-1:	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CC3)(O)	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CC3)(O){1|N<2>,1|O<2>,3|C<3>}	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	3:4:4:1:	4:3:3:	4:3:4:4:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C-4:C-4:	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CC3)2	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(P[5]N[5]CC)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CC3)2{2|H<1>,6|C<3>}	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	3:4:4:1:	4:3:3:	4:4:2:1:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)2(OH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]OO)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	P[5](C[5]C[6a]C[5]H)2(OH)(O){4|C<3>,4|H<1>}	115.9880	0.908	2	115.9880	0.824	2	115.9880	0.824	2	115.9880	0.824	2	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	3:4:4:1:	4:3:3:	4:4:4:4:	C[6a]-3:C[5]-4:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C-4:B-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)2(CC[6a]HH)(BH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]C[5]BC)(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|C<4>,4|H<1>}	P[5](C[5]C[6a]C[5]H)2(CC[6a]HH)(BH3){4|C<3>,4|H<1>}	113.6167	2.095	4	113.6167	4.390	4	113.6167	4.390	4	113.6167	4.390	4	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:2:1:	4:3:3:	4:3:3:3:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]C)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,9|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]C){4|F<1>,8|C<3>}	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:2:1:	4:3:3:	4:3:3:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]CH)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]CH){4|F<1>,8|C<3>}	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	109.7880	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:2:4:	4:3:3:	4:3:3:3:	P[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3)	C[6a](C[5]O[5]P[5]C)(C[6a]C[6a]H)2	P[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)2(C[5]Si[5]C)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]O[5]P[5]C)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	P[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)2(C[5]Si[5]C){2|C<4>,4|H<1>,6|C<3>}	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:1:	4:3:3:	4:3:2:1:	P[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:Se[5]-2:Se-1:	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se[5]C[5])(Se)	C[5](P[5]C[6a]Se[5]Se)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,3|C<3>,3|H<1>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se[5]C[5])(Se){3|H<1>,5|C<3>}	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:2:	4:3:3:	3:4:4:1:	P[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:O-1:	C[5](P[5]C[5,6a]CO)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CFFH)(O)	C[5](P[5]C[5,6a]CO)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2O[5])(CFFH)(O){1|H<1>,6|C<3>}	111.3683	3.182	4	111.3683	10.128	4	111.3683	10.128	4	111.3683	10.128	4	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:3:	4:3:3:	4:3:3:3:	P[5]-4:C[6a]-3:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO)	C[6a](C[5]C[5]P[5]C)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]C)(COO){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]C)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	P[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(C[5]C[5]C){4|H<1>,8|C<3>}	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:4:1:	4:3:3:	4:3:3:2:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]B[5])	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|O<2>,3|C<3>,4|H<1>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]B[5]){2|H<1>,4|C<4>,8|C<3>}	119.3300	0.000	1	119.3300	0.000	1	119.3300	0.000	1	119.3300	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:4:1:	4:3:3:	4:3:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O)	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O){2|H<1>,4|C<4>,8|C<3>}	118.3660	0.000	1	118.4755	0.024	2	118.4755	0.024	2	118.4755	0.024	2	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:4:1:	4:3:3:	4:3:3:3:	P[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:N[5]-3:	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O)	C[5](P[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]B[5]HH)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(N[5]B[5]O){2|H<1>,4|C<4>,8|C<3>}	118.5850	0.000	1	118.4755	0.024	2	118.4755	0.024	2	118.4755	0.024	2	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:3:4:1:	4:3:3:	4:3:4:4:	C[5]-4:C[6a]-3:P[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:C-4:C-4:	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CCCH)2	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(P[5]N[5]CC)(H){2|H<1>,7|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	P[5](C[5]C[6a]C[5]H)(N[5]C[6a]B[5])(CCCH)2{1|H<1>,7|C<3>}	116.8420	0.000	1	116.8420	0.000	1	116.8420	0.000	1	116.8420	0.000	1	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:4:3:1:	4:3:3:	3:4:3:1:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:Se-1:	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se)	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se){1|Se<2>,1|C<4>,4|H<1>,5|C<3>}	114.1480	0.430	2	114.3290	0.191	3	114.3290	0.191	3	114.3290	0.191	3	114.3602	10.951	24	113.6657	14.820	44
474	643	955	0:SP3_SP2_SP3	C[5]	C[6a]	P[5]	4:4:3:1:	4:3:3:	3:4:3:1:	P[5]-4:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:C[6a]-3:Se-1:	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se)	C[5](P[5]N[5,5]C[6a]Se)(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){1|Se<2>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]P[5]H)(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	P[5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(Se){1|Se<2>,5|C<3>,5|H<1>}	114.6910	0.000	1	114.3290	0.191	3	114.3290	0.191	3	114.3290	0.191	3	114.3602	10.951	24	113.6657	14.820	44
474	643	956	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N	3:4:2:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[5,6]-4:O[5]-2:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH)	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N(C[5,6]C[6,6a]C[5,6]O[5])(CCO)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N(C[5,6]C[6,6a]C[5,6]O[5])(CCO)(H)	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	113.7890	0.000	1	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:2:3:	4:3:3:	4:3:1:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH)	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2	N(C[5]C[6a]C[5]O[5])(CCO)(H)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N(C[5]C[6a]C[5]O[5])(CCO)(H)	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	110.6900	0.000	1	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	3:3:4:	4:1:1:	C[5]-3:C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-1:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(O)2	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)(NOO){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2N){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N(C[5]C[6a]C[5]2)(O)2	112.9190	0.000	1	112.9190	0.000	1	112.9190	0.000	1	112.9190	0.000	1	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|O<1>,2|H<1>,4|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	109.7145	0.497	2	109.7145	0.247	2	109.7145	0.247	2	109.5492	0.788	5	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NCH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	108.7200	0.000	1	108.7200	0.000	1	109.7640	2.180	2	109.5492	0.788	5	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[5]C[6a]C[5]2)(CC[6a]O)(H)	110.8080	0.000	1	110.8080	0.000	1	109.7640	2.180	2	109.5492	0.788	5	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)	108.7890	0.000	1	108.7890	0.000	1	108.7890	0.000	1	109.5492	0.788	5	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	3:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|O<2>,5|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>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,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>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	110.8180	0.000	1	111.3720	0.614	2	109.8023	1.563	7	109.4035	5.752	11	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[5a,6a]O)(C[6a]C[6a]H)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|O<2>,2|H<1>,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|O<1>,2|N<3>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	111.9260	0.000	1	111.3720	0.614	2	109.8023	1.563	7	109.4035	5.752	11	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]O)2	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,2|O<2>,4|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>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	110.1670	0.000	1	110.1670	0.000	1	109.8023	1.563	7	109.4035	5.752	11	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCH){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	108.9262	0.461	4	108.9262	0.212	4	109.8023	1.563	7	109.4035	5.752	11	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	107.0595	0.431	2	106.7817	0.324	3	106.7817	0.324	3	109.4035	5.752	11	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NC[6a]H){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)	106.2260	0.000	1	106.7817	0.324	3	106.7817	0.324	3	109.4035	5.752	11	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH)	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2	N(C[5]C[6a]C[5]N[5])(CCO)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N(C[5]C[6a]C[5]N[5])(CCO)(H)	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	109.4035	5.752	11	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NCN){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	112.2255	1.228	2	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:N-3:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN)	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	111.4420	0.000	1	111.4420	0.000	1	111.4420	0.000	1	112.2255	1.228	2	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	107.1465	0.900	2	107.1465	0.810	2	107.9375	1.222	4	107.9375	1.222	4	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(SCOO)(H)	108.7285	0.593	2	108.7285	0.352	2	107.9375	1.222	4	107.9375	1.222	4	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(CH3)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(NCC){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(CH3)(COO)	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	3:4:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[5]-4:N[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH)	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2	N(C[5]C[6a]C[5]N[5])(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(NCH){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]N)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	N(C[5]C[6a]C[5]N[5])(COO)(H)	109.9575	1.102	2	109.9575	1.215	2	109.9575	1.215	2	109.9575	1.215	2	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP2	C[5]	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(COO)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N(C[5]C[6a]C[5]2)(COO)(H)	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	109.7475	4.235	29	109.8822	4.634	30
474	643	956	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	N	3:2:2:3:	3:4:3:	4:1:1:	C[6,6a]-3:O[5,6]-2:O[5]-2:N-3:	N[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:H-1:H-1:	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H)	N(C[5,6]C[6,6a]O[5,6]O[5])(H)2	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	N(C[5,6]C[6,6a]O[5,6]O[5])(H)2	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	110.6339	2.920	10
474	643	956	0:SP3_SP2_SP3	C[5]	C[6a]	N	3:3:2:3:	4:3:3:	4:4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(NCC)	C[6a](C[5]C[5,6a]O[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]O[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(NCC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]N)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N(C[5]C[5,6a]C[6a]O[5])(CH3)2	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.6545	0.656	2	110.4059	2.700	9	110.6339	2.920	10
474	643	956	0:SP3_SP2_SP3	C[5]	C[6a]	N	3:3:2:3:	4:3:3:	4:4:4:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:C-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC)	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2	N(C[5]C[6a]C[5]O[5])(CH3)2	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N(C[5]C[6a]C[5]O[5])(CH3)2	113.2270	0.000	1	113.2270	0.000	1	113.2270	0.000	1	112.6545	0.656	2	110.4059	2.700	9	110.6339	2.920	10
474	643	956	0:SP3_SP2_SP3	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(NHS){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(SCO)(H)	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	110.4059	2.700	9	110.6339	2.920	10
474	643	956	0:SP3_SP2_SP3	C[5]	C[6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS)	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)(NHS){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	N(C[5]C[5,6a]C[6a]C[5])(SC[6a]OO)(H)	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	110.4059	2.700	9	110.6339	2.920	10
474	643	956	0:SP3_SP2_SP3	C[5]	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[5]-3:C[6a]-3:C[5]-4:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:H-1:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(CCHH)(H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(NCH){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2N){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N(C[5]C[6a]C[5]2)(CCHH)(H)	111.2795	0.846	2	111.2795	0.716	2	111.2795	0.716	2	111.2795	0.716	2	110.4059	2.700	9	110.6339	2.920	10
474	643	956	0:SP3_SP2_SP3	C[5]	C[6a]	N	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[5]-4:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(CC[6a]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)(NCH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N(C[5]C[6a]C[5]2)(CC[6a]HH)(H)	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	110.4059	2.700	9	110.6339	2.920	10
474	643	956	0:SP3_SP2_SP3	C[5]	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-3:H-1:	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N)	N(C[5]C[6a]C[5]2)(NNiC)(H)	C[5](C[5]C[6]N[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)(NHN){1|Ni<6>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2N){1|N<2>,1|N<4>,3|C<3>,3|H<1>}	N(C[5]C[6a]C[5]2)(NNiC)(H)	109.2590	0.091	2	109.2590	0.008	2	109.2590	0.008	2	109.2590	0.008	2	110.4059	2.700	9	110.6339	2.920	10
474	643	959	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:4:1:	4:3:3:	4:4:1:1:	C[5,6a]-3:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[5]C[5,6a]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(S[5]C[5]OO)(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)(O)2{4|C<3>}	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.5705	0.011	2	112.1210	3.205	6	112.1210	3.205	6
474	643	959	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:3:4:1:	4:3:3:	4:4:1:1:	N[5]-3:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(O)2	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(S[5]C[5]OO)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]S[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(O)2{1|C<4>,1|O<1>,2|C<3>}	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	110.5705	0.011	2	112.1210	3.205	6	112.1210	3.205	6
474	643	959	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:4:3:1:	4:3:3:	4:3:1:1:	C[6a]-3:S[5]-4:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:O-1:O-1:	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O)2	C[5](C[6a]C[6a]2)(S[5]C[5]OO)(C[5]C[5]C)(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(O)2{1|C<4>,1|H<1>,2|C<3>}	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	111.7790	0.000	1	112.1210	3.205	6	112.1210	3.205	6
474	643	959	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	3:4:4:1:	4:3:3:	4:4:1:1:	C[6a]-3:C[5]-4:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H)	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]OO)(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<1>,4|H<1>}	S[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(O)2{2|C<3>,4|H<1>}	114.4260	0.000	1	114.4260	0.000	1	114.4260	0.000	1	114.4260	0.000	1	112.1210	3.205	6	112.1210	3.205	6
474	643	959	0:SP3_SP2_SP3	C[5]	C[6a]	S[5]	4:3:4:1:	4:3:3:	4:3:1:1:	C[5,6,6]-4:C[6a]-3:S[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:O-1:O-1:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H)	C[6a](C[5]C[5,6,6]S[5]H)(C[6a]C[6a]O)2	S[5](C[5]C[5,6,6]C[6a]H)(C[5]C[5,6,6]H)(O)2	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(C[6a]C[6a]2)(S[5]C[5]OO)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	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>}	S[5](C[5]C[5,6,6]C[6a]H)(C[5]C[5,6,6]H)(O)2{1|H<1>,2|C<3>,2|C<4>}	112.6900	2.264	2	112.6900	5.126	2	112.6900	5.126	2	112.6900	5.126	2	112.1210	3.205	6	112.1210	3.205	6
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	3:3:4:2:	4:3:2:	4:2:	C[6a]-3:C[5,5]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:N[5]-2:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)(N[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<2>,1|N<3>,2|C<4>,3|C<3>}	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	108.5340	0.000	1	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	3:3:4:2:	4:3:3:	4:2:	C[5,5]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<3>,2|C<4>,4|C<3>}	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	3:4:3:2:	4:3:2:	4:3:	C[6a]-3:C[5,5]-4:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-3:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]N)(N[5]C[5]){3|C<3>,7|H<1>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]){2|C<4>,2|N<2>,3|C<3>,3|H<1>}	109.5343	1.980	3	109.5343	3.920	3	109.5343	3.920	3	109.5343	3.920	3	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	3:4:3:2:	4:3:3:	4:3:	N[5,5]-3:C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[6a]C[5])	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[5,5]N[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:3:3:2:	4:3:3:	4:2:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]N[5])	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5]){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<3>,1|S<4>,2|H<1>,2|N<2>,2|N<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]N[5]){1|H<1>,1|N<2>,1|N<3>,1|S<3>,1|S<4>,2|C<3>}	112.5690	0.000	1	112.5690	0.000	1	112.5690	0.000	1	112.5690	0.000	1	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5,6]-4:C[6a]-3:N[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S)	C[5,5](C[5,5,6]N[5,6]2C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C[6a](C[5,5]C[5,5,6]N[5]2)(C[6a]C[6a]H)2{2|N<3>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,5,6]C[6a]N[5])(C[5]N[5,6]S){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.0280	0.000	1	111.0280	0.000	1	111.0280	0.000	1	110.2638	2.241	5	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|N<3>,7|C<3>}	109.8710	0.000	1	109.8710	0.000	1	109.8710	0.000	1	110.2638	2.241	5	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,5|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){2|C<4>,6|C<3>}	108.7980	0.000	1	110.1400	4.090	3	110.1400	4.090	3	110.2638	2.241	5	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,9|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){8|C<3>}	112.4660	0.000	1	110.1400	4.090	3	110.1400	4.090	3	110.2638	2.241	5	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|H<1>,9|C<3>}	C[6a](C[5,5]C[5,5]N[5]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]N[5]){2|C<4>,6|C<3>}	109.1560	0.000	1	110.1400	4.090	3	110.1400	4.090	3	110.2638	2.241	5	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:3:4:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|N<3>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	108.0530	0.000	1	110.0610	8.064	2	110.0610	8.064	2	110.0610	8.064	2	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:3:4:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5])	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){4|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	112.0690	0.000	1	110.0610	8.064	2	110.0610	8.064	2	110.0610	8.064	2	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,5]	C[6a]	N[5]	4:4:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[6a]-3:N[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]N[5])	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]N[5]){3|H<1>,7|C<3>}	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	109.9330	3.350	15	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	107.5910	0.000	2	107.5910	0.000	2	108.6375	1.460	4	108.6375	1.460	4	109.9553	4.843	18	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(N[5]C[5]){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	109.6840	0.000	2	109.6840	0.000	2	108.6375	1.460	4	108.6375	1.460	4	109.9553	4.843	18	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:4:2:	3:4:3:	4:2:	C[6,6a]-3:N[5]-3:C[6]-4:N[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:N[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]N[5]2)(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[6]HH)(N[5]N[5]){1|C<4>,1|S<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]N[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	N[5](C[5,6]C[6,6a]C[6]N[5])(N[5]C[5]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	109.9553	4.843	18	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:4:2:	4:3:3:	4:3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5])	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]2C[5])(C[5]S[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]S[5]CH)(N[5]C[5]){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,4|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]2C[5])(C[5]S[5]O){1|H<1>,5|C<3>}	110.6525	0.247	2	110.6525	0.061	2	110.6525	0.061	2	110.6525	0.061	2	109.9553	4.843	18	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:2:	3:4:3:	4:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6]N[5])(C[5]C[6a]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]N[5])(C[5]C[6a]C[5]){2|N<2>,6|C<3>}	111.6453	2.454	6	111.6453	6.023	6	111.5205	4.355	8	111.5205	4.355	8	109.9553	4.843	18	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:2:	3:4:3:	4:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:N[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6]N[5])(C[5]C[6a]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5]2)(N[5]C[5])2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]N[5]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]N[5])(C[5]C[6a]C[5]){2|N<2>,6|C<3>}	111.1460	0.030	2	111.1460	0.001	2	111.5205	4.355	8	111.5205	4.355	8	109.9553	4.843	18	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:4:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	108.0870	0.000	1	108.0870	0.000	1	108.1060	0.018	3	108.1060	0.018	3	109.9553	4.843	18	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:4:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]S[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]S[5]C){1|H<1>,3|C<3>}	108.1155	0.187	2	108.1155	0.035	2	108.1060	0.018	3	108.1060	0.018	3	109.9553	4.843	18	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[5]	4:3:2:2:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]O[5]C)	C[5,6](C[5,6]O[5]O[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]O[5]C){1|H<1>,1|O<2>,3|C<3>}	112.9390	0.000	1	112.9390	0.000	1	111.9135	2.103	2	111.9135	2.103	2	108.8617	4.889	7	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[5]	4:3:2:2:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[6]-2:N[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5])	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]S[5]C)	C[5,6](C[5,6]O[6]S[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5,6]C[5,6]N[5]O[6])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5]S[5]C){1|H<1>,1|O<2>,3|C<3>}	110.8880	0.000	1	110.8880	0.000	1	111.9135	2.103	2	111.9135	2.103	2	108.8617	4.889	7	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[6]-4:C[5,6]-3:C[6a]-3:N[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]O[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]C)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]O[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]O[5]C){1|H<1>,1|N<2>,4|C<3>}	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	106.9630	0.000	1	108.8617	4.889	7	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5,6]	C[6a]	N[5]	4:3:4:2:	4:3:3:	4:2:	C[5,5,6]-4:C[6a]-3:C[6]-4:N[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5])	C[6a](C[5,6]C[5,5,6]C[6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]N[5]){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,5|H<1>}	N[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5]){3|C<3>,3|C<4>,3|H<1>}	107.8105	0.440	4	107.8105	0.194	4	107.8105	0.194	4	107.8105	0.194	4	108.8617	4.889	7	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5]){5|C<3>}	113.6625	2.104	2	113.6625	4.425	2	113.6625	4.425	2	113.5717	2.237	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:1:	4:3:3:	4:3:	C[6a]-3:O[5]-2:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5,5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[5,5]H){2|C<3>,2|C<4>}	113.3900	0.000	1	113.3900	0.000	1	113.3900	0.000	1	113.5717	2.237	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5]){1|O<1>,4|C<3>}	110.9440	0.000	1	110.9440	0.000	1	111.6810	0.989	3	111.6810	0.989	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C){2|C<3>,2|H<1>}	111.2870	0.000	1	111.2870	0.000	1	111.6810	0.989	3	111.6810	0.989	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5]){1|O<1>,4|C<3>}	112.8120	0.000	1	112.8120	0.000	1	111.6810	0.989	3	111.6810	0.989	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5]){1|O<2>,6|C<3>}	108.7330	0.000	1	108.7330	0.000	1	110.1280	3.892	2	110.1280	3.892	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H)	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5]){1|H<1>,1|S<4>,5|C<3>}	111.5230	0.000	1	111.5230	0.000	1	110.1280	3.892	2	110.1280	3.892	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:1:	4:3:3:	4:3:	N[5,5]-3:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C){1|C<4>,3|C<3>}	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	3:4:3:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5a]N[5]2)(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5a]N[5]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	112.4325	1.008	2	112.4325	1.015	2	112.4325	1.015	2	112.4325	1.015	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	3:4:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5a]N[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5a]N[5]){7|C<3>}	108.5460	0.778	2	108.5460	0.605	2	108.5460	0.605	2	108.5460	0.605	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[5,5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC)	C[6a](C[5]C[5,5]N[5]O)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]2)(C[6a]C[6a]2)(N[5]C[5])(OC){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]O)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]C[6a]){1|C<4>,5|C<3>}	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:S-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a])	C[6a](C[5]C[5,6a]N[5]S)(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5])(SC[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]S)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]O){4|C<3>}	113.6220	0.000	1	113.6220	0.000	1	113.6220	0.000	1	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OC){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	112.7240	0.000	1	112.7240	0.000	1	109.7741	4.357	7	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])(OO){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	109.2825	1.788	6	109.2825	3.198	6	109.7741	4.357	7	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]C[5])2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)2(N[5]C[5])2{5|C<3>,5|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]C[5]H){5|C<3>}	109.5445	1.209	6	109.5445	1.462	6	109.4216	1.119	12	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]C[5])2	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)2(N[5]C[5])2{5|C<3>,5|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]){1|H<1>,6|C<3>}	109.2987	0.982	6	109.2987	0.964	6	109.4216	1.119	12	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|H<1>,1|N<2>,8|C<3>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	110.9935	0.578	2	110.9935	0.334	2	109.0912	4.577	32	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	108.7413	1.262	12	108.7413	1.592	12	109.0912	4.577	32	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|Cl<1>,5|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	109.3992	2.010	4	109.4226	3.924	10	109.0912	4.577	32	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|Cl<1>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	109.4382	2.154	6	109.4226	3.924	10	109.0912	4.577	32	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]F)2	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|F<1>,7|C<3>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	108.7310	1.902	2	108.7310	3.618	2	109.0912	4.577	32	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:N[5a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])2{1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5]N[5a]N[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	108.7247	3.853	6	108.7247	14.845	6	109.0912	4.577	32	109.3753	3.929	53	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:3:	3:3:4:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C)	N[5](C[5]C[6a]N[5]C)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]N[5]S){4|C<3>}	109.9630	0.000	1	109.9630	0.000	1	110.6140	0.831	3	110.6140	0.831	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:3:	3:3:4:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){6|C<3>}	110.2230	0.000	1	110.2230	0.000	1	110.6140	0.831	3	110.6140	0.831	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:3:	3:3:4:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	N[5](C[5]C[6a]N[5]C)(C[5]N[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])(COO){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]N[5]H){4|C<3>}	111.6560	0.000	1	111.6560	0.000	1	110.6140	0.831	3	110.6140	0.831	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:4:	3:3:4:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	109.6390	0.305	2	109.6390	0.093	2	109.6390	0.093	2	109.6390	0.093	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]2){1|O<1>,2|C<4>,3|C<3>}	111.4305	0.074	2	111.4305	0.006	2	111.4347	0.776	6	111.4347	0.776	6	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	112.7100	0.000	1	112.7100	0.000	1	111.4347	0.776	6	111.4347	0.776	6	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]S[5]){1|O<1>,4|C<3>}	111.0123	0.926	3	111.0123	0.857	3	111.4347	0.776	6	111.4347	0.776	6	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:4:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]CO){4|C<3>}	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(N[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[5]O){1|H<1>,5|C<3>}	106.0855	1.356	2	106.0855	1.837	2	106.0855	1.837	2	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,8|C<3>}	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5]){7|C<3>}	104.7170	0.000	1	104.7170	0.000	1	104.3125	0.327	2	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:N[5a]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5])	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]2)(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[5]N[5a]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5]){7|C<3>}	103.9080	0.000	1	103.9080	0.000	1	104.3125	0.327	2	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|C<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[5]C){1|H<1>,1|O<2>,4|C<3>}	108.5610	4.674	2	108.4465	11.710	4	109.3995	7.706	10	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(N[5]C[5]){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[5]C){1|H<1>,1|O<2>,4|C<3>}	108.3320	3.637	2	108.4465	11.710	4	109.3995	7.706	10	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]O)(N[5]C[5]){5|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,6|C<3>}	109.1175	3.034	2	109.1175	9.206	2	109.3995	7.706	10	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]N){1|H<1>,1|O<1>,4|C<3>}	111.2785	1.316	2	111.2785	1.732	2	109.3995	7.706	10	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]S){1|C<4>,1|O<1>,4|C<3>}	109.7085	3.499	2	109.7085	12.246	2	109.3995	7.706	10	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[5]N[5]O[5])	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]N[5]O[5]){3|C<4>,4|C<3>}	111.2425	3.234	2	111.2425	10.456	2	110.6985	5.872	14	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[5]N[6]O[5])	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]N[6]O[5]){3|C<4>,4|C<3>}	110.7360	3.183	2	110.7360	10.134	2	110.6985	5.872	14	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[5]O[5]N)	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]O[5]N){1|C<4>,4|C<3>}	110.5822	2.473	10	110.5822	6.114	10	110.6985	5.872	14	109.4489	9.079	28	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5])	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]C[6a]2)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]){2|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]2)(S[5]C[5,6a]OO){6|C<3>}	109.4035	2.534	4	109.4035	6.419	4	109.4035	6.419	4	109.7319	4.029	8	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(P[5]C[5]CC)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]2C[5])(P[5]C[5]CC){6|C<3>}	110.0095	1.677	2	110.0095	2.811	2	110.0602	2.694	4	109.7319	4.029	8	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(N[5]P[5]){4|H<1>,7|C<3>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5]){10|C<3>}	110.1110	2.294	2	110.1110	5.262	2	110.0602	2.694	4	109.7319	4.029	8	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(N[5]C[5]){5|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	108.4720	2.889	4	108.4720	8.346	4	108.9153	5.488	6	109.4109	6.584	8	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(N[5]C[5]){1|N<3>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]2C[5])(C[5]N[5]N){1|S<4>,2|H<1>,4|C<3>}	109.8020	0.206	2	109.8020	0.043	2	108.9153	5.488	6	109.4109	6.584	8	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:N[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5])	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[5]O[5]N)	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[5]O[5]N){1|C<4>,1|H<1>,4|C<3>}	110.8975	3.572	2	110.8975	12.756	2	110.8975	12.756	2	109.4109	6.584	8	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5])	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]P[5]){6|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|P<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]2C[5])(P[5]C[6a]2C[5]){1|C<2>,3|H<1>,8|C<3>}	110.6880	0.798	2	110.6880	0.636	2	110.6880	0.636	2	110.6880	0.636	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:2:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(N[5]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,2|N<2>,4|C<3>}	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	111.4860	0.000	1	111.4860	0.000	1	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){4|C<3>,4|H<1>}	111.3150	0.000	1	111.3150	0.000	1	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|S<4>,2|H<1>,4|C<3>}	110.9790	0.000	1	110.9790	0.000	1	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|S<4>,2|C<3>,2|H<1>}	110.5260	0.000	1	110.5260	0.000	1	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	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>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]C){2|C<3>,2|H<1>}	110.3755	0.319	2	110.3755	0.102	2	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	113.3160	0.000	1	113.3160	0.000	1	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]O[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.3890	0.000	1	110.3890	0.000	1	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]){2|H<1>,4|C<3>}	112.6503	1.339	11	112.6503	1.792	11	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]O[5]C){2|C<3>,2|H<1>}	111.3648	0.999	6	111.3648	0.998	6	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]S[5]){1|N<2>,2|H<1>,3|C<3>}	110.1990	0.000	1	110.1990	0.000	1	111.7809	1.825	26	111.7809	1.825	26	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5,5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	113.4723	7.946	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){1|B<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|B<3>,2|H<1>,3|C<3>}	114.6180	0.000	1	115.0780	0.423	2	115.0780	0.423	2	113.4723	7.946	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	115.5380	0.000	1	115.0780	0.423	2	115.0780	0.423	2	113.4723	7.946	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:2:	4:3:3:	4:3:	C[6a]-3:C-4:N[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5]){1|O<1>,4|C<3>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	108.3135	2.370	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:2:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH)	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]O)(C[5]S[5]C)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(N[5]C[5])(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]O)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]O)(C[5]S[5]C){2|C<3>,2|H<1>}	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	108.3135	2.370	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:3:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5])(COO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H){1|H<1>,2|C<3>,2|C<4>}	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:4:	4:3:2:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]C[5]C)(C[5]C[3x6]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[3x6]O[5]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	112.0390	0.000	1	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]){2|H<1>,4|C<3>}	113.6550	0.000	1	113.6550	0.000	1	111.3060	2.833	4	111.3060	2.833	4	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]O[5]C){2|C<3>,2|H<1>}	110.5230	0.755	3	110.5230	0.571	3	111.3060	2.833	4	111.3060	2.833	4	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]S[5])(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5])(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]N[5,5]S[5])(C[5]C[6a]C[5]H){1|C<4>,1|H<1>,4|C<3>}	111.8650	0.000	1	111.8650	0.000	1	111.8650	0.000	1	111.2984	8.324	5	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)	C[5](C[5]N[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	110.0807	3.082	3	110.0807	9.500	3	110.0807	9.500	3	111.2984	8.324	5	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5]H){2|C<2>,6|C<3>}	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	111.2984	8.324	5	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[3,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]C[6a])	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[3,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]C[6a]){1|C<4>,1|H<1>,5|C<3>}	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C[6a]){1|C<4>,1|H<1>,6|C<3>}	113.1700	0.000	1	113.1700	0.000	1	113.1157	0.233	6	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])(H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	113.0610	0.000	1	113.0610	0.000	1	113.1157	0.233	6	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|H<1>,1|N<2>,1|O<1>,2|O<2>,5|C<3>}	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>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]){7|C<3>}	113.5770	0.000	1	113.5770	0.000	1	113.1157	0.233	6	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	112.4960	0.000	1	112.4960	0.000	1	113.1157	0.233	6	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a])	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]){1|H<1>,2|C<4>,4|C<3>}	113.1950	0.741	2	113.1950	0.549	2	113.1157	0.233	6	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])(H){1|O<1>,1|S<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	111.5410	0.000	1	111.5410	0.000	1	111.5410	0.000	1	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|H<1>,4|C<3>}	113.8210	0.000	1	113.8210	0.000	1	112.8354	1.448	16	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,5|C<3>}	113.8545	0.587	4	113.3179	0.720	7	112.8354	1.448	16	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,1|S<4>,5|C<3>}	112.9200	0.000	1	113.3179	0.720	7	112.8354	1.448	16	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,6|C<3>}	111.9720	0.000	1	113.3179	0.720	7	112.8354	1.448	16	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){2|H<1>,5|C<3>}	112.9150	0.000	1	113.3179	0.720	7	112.8354	1.448	16	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|H<1>,1|S<4>,3|C<3>}	111.3090	0.000	1	111.3090	0.000	1	112.8354	1.448	16	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]){1|H<1>,1|N<2>,4|C<3>}	112.2360	0.000	1	112.4303	1.887	7	112.8354	1.448	16	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]){1|H<1>,5|C<3>}	112.4627	1.502	6	112.4303	1.887	7	112.8354	1.448	16	112.8273	1.103	24	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]Ge[5]CH)	C[5](C[5,5]C[5,6a]2Ge[5])(C[6a]C[6a]2)(N[5]C[5])(H){3|H<1>,9|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]Ge[5]CH){6|C<3>}	111.4670	0.000	2	111.4670	0.000	2	111.4670	0.000	2	111.7850	0.303	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|C<2>,2|H<1>,3|C<3>}	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	111.7850	0.303	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]N[5])(C[5]C[6a]C[5])	C[5](C[5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,8|C<3>}	C[6a](C[5]C[5]N[5]2)(C[6a]C[6a]H)2{2|H<1>,2|N<2>,4|C<3>}	N[5](C[5]C[6a]C[5]N[5])(C[5]C[6a]C[5]){2|N<2>,6|C<3>}	111.0145	1.159	2	111.0145	1.343	2	111.0145	1.343	2	111.0145	1.343	2	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]C)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]C)(C[5]C[5]H){2|C<2>,4|C<3>}	109.1450	0.000	1	109.1450	0.000	1	111.5417	3.759	4	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5]H){5|C<3>}	111.6900	0.000	1	111.6900	0.000	1	111.5417	3.759	4	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5,5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5,5]H){1|H<1>,2|C<3>,2|C<4>}	113.8870	0.000	1	113.8870	0.000	1	111.5417	3.759	4	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5,5]H)	C[5](C[5,5]N[5,5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]C)(C[5]N[5,5]H){1|S<4>,4|C<3>}	111.4450	0.000	1	111.4450	0.000	1	111.5417	3.759	4	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5,6]H)	C[5](C[5,6]C[6,6a]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5,6]H){1|C<4>,4|C<3>}	107.6820	0.256	2	107.6820	0.066	2	107.6820	0.066	2	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5])(COO){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H){1|H<1>,5|C<3>}	110.3935	0.035	2	110.3935	0.001	2	110.2738	1.665	10	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H){2|H<1>,4|C<3>}	109.5603	0.320	6	109.5603	0.103	6	110.2738	1.665	10	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	111.0250	0.000	1	111.0250	0.000	1	110.2738	1.665	10	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:3:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(COO){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H){1|H<1>,1|S<4>,3|C<3>}	113.5640	0.000	1	113.5640	0.000	1	110.2738	1.665	10	110.2668	3.080	16	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:4:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H){1|H<1>,1|S<4>,3|C<3>}	110.3050	0.000	1	110.3050	0.000	1	110.6783	0.590	3	110.6783	0.590	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:4:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|H<1>,6|C<3>}	110.1680	0.000	1	110.1680	0.000	1	110.6783	0.590	3	110.6783	0.590	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:4:	4:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]O[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]O[5]H){1|H<1>,3|C<3>}	111.5620	0.000	1	111.5620	0.000	1	110.6783	0.590	3	110.6783	0.590	3	110.6392	5.280	217	110.5016	5.204	257
474	643	960	0:SP3_SP2_SP2	C[5]	C[6a]	N[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]2)(C[5]C[6a]O[5])	C[5](C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]2N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]2)(C[5]C[6a]O[5]){1|N<2>,1|O<1>,6|C<3>}	112.0775	0.141	2	112.0775	0.020	2	112.0775	0.020	2	112.0775	0.020	2	110.6392	5.280	217	110.5016	5.204	257
474	643	976	0:SP3_SP2_SP2	C[3x5,6]	C[6a]	O[5,6]	4:3:2:3:	4:3:3:	4:3:	C[5,5,6,6]-4:N[3x5,6]-3:O[5,6]-2:C[6a]-3:	C[3x5,6]-4:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,6]-3:	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[3x5,6]C[5,5,6,6]N[3x5,6]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[3x5,6]C[5,5,6,6]N[3x5,6]C[6a])(C[5,6]C[5,5,6,6]O)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[6a](C[3x5,6]C[5,5,6,6]N[3x5,6]O[5,6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	O[5,6](C[3x5,6]C[5,5,6,6]N[3x5,6]C[6a])(C[5,6]C[5,5,6,6]O){1|H<1>,2|C<3>,4|C<4>}	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5,6]	C[6,6a]	O[5]	4:3:2:2:	4:3:3:	4:3:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5])	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5,6a]C[5,6a]C[6,6a])	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5,6a]C[5,6a]C[6,6a]){2|C<4>,6|C<3>}	105.9825	0.931	2	105.9825	0.867	2	105.9825	0.867	2	105.9825	0.867	2	105.9825	0.867	2	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5,6]	C[6a]	O[5,6]	4:4:2:3:	4:3:3:	4:3:	C[5,5,6]-4:C[5,5]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6]C[5,5]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]N)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5,6]C[5,5]O[5,6])(C[6a]C[6a]H)2{3|C<4>,3|H<1>,4|C<3>}	O[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]N){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:2:	C[6a]-3:N[5,5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5])	C[6a](C[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]N[5,5]C[6a]O[5])(N[5]C[5])	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5]){3|C<3>,6|H<1>}	C[6a](C[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]N[5,5]C[6a]O[5])(N[5]C[5]){2|C<4>,3|C<3>}	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])	C[6a](C[5,5]C[5,6a]N[5,5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5]){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,6a]N[5,5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5](C[5,5]C[5,6a]N[5,5]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,5|C<3>}	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]N){1|C<4>,2|C<2>,4|C<3>}	106.7930	0.000	1	106.7520	0.003	2	106.7520	0.003	2	106.7520	0.003	2	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]N)	C[5,5](C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,5|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]N){1|C<4>,2|C<2>,4|C<3>}	106.7110	0.000	1	106.7520	0.003	2	106.7520	0.003	2	106.7520	0.003	2	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:4:3:2:	4:3:2:	4:3:	C[5,6a]-3:C[5,5,6]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5])	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,5]C[5,5,6]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5,6]C[5,6a]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,5,6]C[5,6a]C[6a])(C[5]C[5,6]O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	108.8000	0.000	2	108.6327	0.084	3	108.6327	0.084	3	108.5790	0.068	4	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[5,5]-3:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	108.2980	0.000	1	108.6327	0.084	3	108.6327	0.084	3	108.5790	0.068	4	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]N)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]N){1|C<4>,1|H<1>,5|C<3>}	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	108.5790	0.068	4	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	3:4:4:2:	4:3:2:	4:3:	C[6a]-3:C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-3:	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]O)	C[5,5](C[6a]C[6a]N[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]O){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	108.2870	0.000	1	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5])	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	108.0910	0.000	1	108.0910	0.000	1	108.0910	0.000	1	109.5340	1.105	5	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]N)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]N){1|C<2>,1|H<1>,4|C<3>}	109.2760	0.327	2	109.2760	0.107	2	109.8948	0.606	4	109.5340	1.105	5	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5])	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	110.5135	0.424	2	110.5135	0.179	2	109.8948	0.606	4	109.5340	1.105	5	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:2:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,2|N<2>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,1|N<3>,1|S<4>,3|C<3>}	111.4350	0.000	1	111.4350	0.000	1	110.1778	1.841	4	109.7500	2.135	7	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:2:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<3>,1|S<4>,2|C<3>,2|H<1>,2|N<2>}	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<2>,1|N<3>,1|S<3>,1|S<4>,3|C<3>}	110.5035	0.293	2	109.7587	1.707	3	110.1778	1.841	4	109.7500	2.135	7	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:2:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|S<4>}	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<2>,1|N<3>,2|S<4>,3|C<3>}	108.2690	0.000	1	109.7587	1.707	3	110.1778	1.841	4	109.7500	2.135	7	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:2:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	108.9680	0.000	1	109.1797	2.791	3	109.1797	2.791	3	109.7500	2.135	7	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:2:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){3|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.2855	2.348	2	109.1797	2.791	3	109.1797	2.791	3	109.7500	2.135	7	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){2|H<1>,7|C<3>}	109.2150	0.000	1	109.2150	0.000	1	108.7128	0.263	5	108.6217	0.260	6	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	108.9700	0.000	2	108.9700	0.000	2	108.7128	0.263	5	108.6217	0.260	6	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	108.2045	0.390	2	108.2045	0.152	2	108.7128	0.263	5	108.6217	0.260	6	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	108.6217	0.260	6	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:4:2:	4:3:2:	4:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,5]C[5,5,6]C[6a]C[5])(C[5]C[5,6]O)	C[5,5](C[5,5,6]C[5,6]2H)(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,5|H<1>}	O[5](C[5,5]C[5,5,6]C[6a]C[5])(C[5]C[5,6]O){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	108.9720	0.000	1	108.9720	0.000	1	107.8320	2.599	2	107.8320	2.599	2	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:3:4:2:	4:3:2:	4:3:	C[5,5,6]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,5]C[5,5,6]C[6a]C[5])(C[5]C[5]N)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5,5]C[5,5,6]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,4|C<3>,4|H<1>}	O[5](C[5,5]C[5,5,6]C[6a]C[5])(C[5]C[5]N){1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	106.6920	0.000	1	106.6920	0.000	1	107.8320	2.599	2	107.8320	2.599	2	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[3,5]-4:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[3,5]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[3,5]C[5,5]C[6a])(C[5]C[5]H)	C[5,5](C[3,5]C[3]2C[5])(C[5,5]C[5]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,3|C<3>,8|H<1>}	C[6a](C[5,5]C[3,5]C[5,5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5]C[3,5]C[5,5]C[6a])(C[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	108.1260	1.109	5	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]2C)(C[5]C[5,6a]BrH)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,3|H<1>,6|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|Br<1>,2|H<1>,7|C<3>}	109.7560	0.000	1	109.7560	0.000	1	108.1417	1.999	3	108.1260	1.109	5	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	107.1240	0.000	1	107.3345	0.089	2	108.1417	1.999	3	108.1260	1.109	5	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	107.5450	0.000	1	107.3345	0.089	2	108.1417	1.999	3	108.1260	1.109	5	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,5]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[5,5]-4:C[5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]ClH)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]O){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	108.1260	1.109	5	108.7703	1.470	35	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6,6]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5,6,6]N[5,6,6]C[3x6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6,6]N[5,6,6]C[3x6]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6,6]N[5,6,6]C[3x6]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6,6]N[5,6,6]C[3x6]C[6a])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,5|C<3>}	106.4870	0.000	1	106.4870	0.000	1	106.4870	0.000	1	106.4870	0.000	1	106.4870	0.000	1	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]O){1|C<4>,1|O<2>,2|C<3>}	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5,6]C){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH)	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]O){1|C<4>,3|C<3>}	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,7|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.4370	0.000	1	106.4370	0.000	1	106.4370	0.000	1	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5]C[5]){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	109.0450	0.000	1	109.0450	0.000	1	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]H){2|C<4>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	107.5665	1.172	4	107.5665	1.373	4	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.8430	0.000	1	108.0310	2.823	2	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	109.2190	0.000	1	108.0310	2.823	2	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.7910	0.000	1	106.7910	0.000	1	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	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]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|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]H){1|O<1>,2|O<2>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.6460	0.000	1	107.7987	1.127	3	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	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]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,3|H<1>,7|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]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.3750	0.511	2	107.7987	1.127	3	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	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[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,7|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[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	110.6700	0.000	1	110.6700	0.000	1	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	107.1826	0.862	11	106.8244	1.079	14	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	105.5107	0.075	3	106.8244	1.079	14	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.9537	0.768	4	106.9537	0.590	4	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	107.7140	0.591	5	107.7611	1.049	41	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.7250	0.000	1	107.7611	1.049	41	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.7745	0.018	2	107.7611	1.049	41	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	107.8594	1.078	33	107.7611	1.049	41	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|Si<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.0906	0.631	7	106.0906	0.398	7	107.4413	1.392	78	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O[5]C[5]){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O){1|O<1>,5|C<3>}	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	106.6593	0.622	3	106.6593	0.387	3	106.6593	0.387	3	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){2|H<1>,8|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.5013	1.190	3	108.5013	1.417	3	108.5013	1.417	3	107.4726	1.471	86	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:B[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(B[5]C[6a]O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(O[5]B[5])(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O[5](C[5,6]C[6,6a]C[5,6]H)(B[5]C[6a]O[5]){1|C<4>,1|H<1>,4|C<3>}	107.8830	0.000	1	107.8830	0.000	1	107.8830	0.000	1	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){2|H<1>,5|C<3>}	109.5840	0.000	1	109.5840	0.000	1	109.6684	2.516	7	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	110.7410	0.000	1	109.6825	3.018	6	109.6684	2.516	7	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	107.8340	0.027	2	109.6825	3.018	6	109.6684	2.516	7	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	110.5620	1.551	3	109.6825	3.018	6	109.6684	2.516	7	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O){1|C<4>,2|H<1>,3|C<3>}	109.7880	0.000	1	109.7880	0.000	1	110.7455	19.905	10	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C){1|H<1>,4|C<3>}	108.1720	0.000	1	108.1720	0.000	1	110.7455	19.905	10	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	108.5330	0.000	1	108.5545	0.573	6	110.7455	19.905	10	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	107.8700	0.000	1	108.5545	0.573	6	110.7455	19.905	10	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	108.0620	0.000	1	108.5545	0.573	6	110.7455	19.905	10	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.4550	0.410	2	108.5545	0.573	6	110.7455	19.905	10	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	107.9520	0.000	1	108.5545	0.573	6	110.7455	19.905	10	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O){2|H<1>,3|C<3>}	119.0840	0.938	2	119.0840	0.879	2	110.7455	19.905	10	110.1676	12.032	18	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:3:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:N-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH)	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]N)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(NCH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]N)(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	105.7680	0.000	1	105.7680	0.000	1	105.7680	0.000	1	107.1760	3.965	2	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:3:	4:3:3:	4:3:	C[6,6a]-3:C[5]-4:O[5]-2:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a]){1|O<1>,3|H<1>,5|C<3>}	108.5840	0.000	1	108.5840	0.000	1	108.5840	0.000	1	107.1760	3.965	2	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:4:	4:3:2:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	106.3825	0.607	2	106.3825	0.369	2	106.3825	0.369	2	106.3825	0.369	2	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	105.7480	0.000	1	105.7480	0.000	1	105.7480	0.000	1	105.9595	0.089	2	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O){1|H<1>,1|N<3>,4|C<3>}	106.1710	0.000	1	106.1710	0.000	1	106.1710	0.000	1	105.9595	0.089	2	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]N)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[5]C[5]C)(O[5]C[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]N){7|C<3>}	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	109.7863	1.233	17	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|Br<1>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|O<1>,3|C<3>,4|H<1>}	109.9026	0.955	8	109.6547	1.351	9	109.9051	1.060	16	109.7863	1.233	17	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5])	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(O[5]C[5]){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){2|O<2>,3|C<3>,3|H<1>}	107.6710	0.000	1	109.6547	1.351	9	109.9051	1.060	16	109.7863	1.233	17	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5])	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]CC)(C[6]N[6]O)(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	110.2270	0.795	7	110.2270	0.632	7	109.9051	1.060	16	109.7863	1.233	17	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:4:2:	3:4:2:	4:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:O[6a]-2:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5]C[6]O[5])(O[6a]C[6a])	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]O[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5]C[6]O[5])(O[6a]C[6a]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|C<3>,1|C<4>,3|O<2>,4|H<1>}	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:3:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5])	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]HO)(O[5]C[5]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	105.2710	0.000	1	105.2710	0.000	1	105.2710	0.000	1	106.7093	1.553	3	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,7|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	107.4710	0.000	1	107.4710	0.000	1	107.4285	0.004	2	106.7093	1.553	3	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:3:	C[6,6a]-3:C[6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5])	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	107.3860	0.000	1	107.3860	0.000	1	107.4285	0.004	2	106.7093	1.553	3	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]O)	C[5,6](C[5,6,6]C[6,6,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]N[5,6]O){2|C<4>,3|C<3>}	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[6a]C[5])	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[6a]C[5]){1|N<3>,8|C<3>}	106.7470	0.000	1	107.2220	0.451	2	107.2220	0.451	2	107.2220	0.451	2	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6,6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[6a]C[5])	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[6a]C[5]){1|N<3>,8|C<3>}	107.6970	0.000	1	107.2220	0.451	2	107.2220	0.451	2	107.2220	0.451	2	108.2019	5.562	137	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	N[5,5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]N[5,5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]C[5,5]O)	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[5,6]N[5,5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[5](C[5,6]N[5,5,6]C[6a]C[6])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	109.1780	1.609	2	108.7636	1.705	8	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	N[5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]O)	C[5,6](N[5,6]C[5]N[6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]O){1|H<1>,1|N<2>,4|C<3>}	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	109.1780	1.609	2	108.7636	1.705	8	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:3:	C[5,6,6]-4:C[6a]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6])	C[6a](C[5,6]C[5,6,6]O[5]O[6])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6,6]C[6a]O[6])(C[5]C[5,6]C[6a])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[5]C[5])(O[6]B[6]){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6,6]O[5]O[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5,6,6]C[6a]O[6])(C[5]C[5,6]C[6a]){1|B<4>,1|C<4>,1|H<1>,1|P<4>,4|C<3>}	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	108.7636	1.705	8	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6a]	O[5]	4:3:2:3:	4:3:3:	3:4:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6a]N[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6a]N[6]){1|C<4>,2|H<1>,6|C<3>}	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	108.7636	1.705	8	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[6a]C[5])	C[5,6](C[5,6]N[6,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){10|C<3>,3|H<1>}	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[6a]C[5]){1|N<3>,8|C<3>}	108.8420	2.086	2	108.8420	4.351	2	108.8420	4.351	2	108.8420	4.351	2	108.7636	1.705	8	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[5,6,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[5,6,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6,6]C[6a]C[6])(C[5]N[5]S)	C[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6,6]C[6]O[5])(C[6a]C[6a]H)2{1|O<2>,2|N<3>,3|H<1>,4|C<3>}	O[5](C[5,6]C[5,6,6]C[6a]C[6])(C[5]N[5]S){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	109.5685	0.417	2	108.7636	1.705	8	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5,6]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:3:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]O){1|N<3>,3|H<1>,5|C<3>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	109.5685	0.417	2	108.7636	1.705	8	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:3:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	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[5](C[5]C[6a]O[5]C)(C[5]C[5]N){2|C<3>,2|C<4>}	108.7590	0.000	1	108.7590	0.000	1	110.3007	1.223	4	110.3007	1.223	4	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:3:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]C){1|C<4>,3|C<3>}	110.9490	0.626	2	110.8147	0.250	3	110.3007	1.223	4	110.3007	1.223	4	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:3:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]C){2|C<3>,2|C<4>}	110.5460	0.000	1	110.8147	0.250	3	110.3007	1.223	4	110.3007	1.223	4	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O){3|C<3>}	109.6080	0.000	1	109.6080	0.000	1	109.8420	0.110	2	109.8420	0.110	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O){3|C<3>}	110.0760	0.000	1	110.0760	0.000	1	109.8420	0.110	2	109.8420	0.110	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	3:3:4:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]O[5]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]2)(O[5]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]O[5]H){2|H<1>,8|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	110.7090	0.000	1	110.7090	0.000	1	110.7090	0.000	1	109.1022	2.599	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>,5|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[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	109.7980	0.030	2	109.7980	0.001	2	109.7980	0.001	2	109.1022	2.599	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	3:4:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>}	106.8580	0.000	1	107.0735	0.093	2	107.0735	0.093	2	109.1022	2.599	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	3:4:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	107.2890	0.000	1	107.0735	0.093	2	107.0735	0.093	2	109.1022	2.599	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	3:4:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){6|C<3>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	109.1022	2.599	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	3:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|H<1>,1|O<2>,4|C<3>}	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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|H<1>,5|C<3>}	109.7110	0.000	1	109.7110	0.000	1	109.1375	0.658	2	109.1375	0.658	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	3:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H){1|H<1>,5|C<3>}	108.5640	0.000	1	108.5640	0.000	1	109.1375	0.658	2	109.1375	0.658	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:2:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(N[5]C[5]){1|C<4>,3|C<3>}	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	110.8330	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:Cl-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl)	C[6a](C[5]C[5,6a]O[5]Cl)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(Cl){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]Cl)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]O){4|C<3>}	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]B[5])(H){1|F<1>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	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[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]O){4|C<3>}	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	110.1180	0.000	1	110.1180	0.000	1	110.4704	0.311	8	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6,6a]O)(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	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[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	110.9490	0.000	1	110.9490	0.000	1	110.4704	0.311	8	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	110.2920	0.000	1	109.8590	0.375	2	110.4704	0.311	8	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	109.4260	0.000	1	109.8590	0.375	2	110.4704	0.311	8	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O){4|C<3>}	110.7445	0.367	4	110.7445	0.135	4	110.4704	0.311	8	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	110.3590	0.000	1	110.0705	0.166	2	110.0705	0.166	2	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,3|C<3>}	109.7820	0.000	1	110.0705	0.166	2	110.0705	0.166	2	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	110.0162	0.693	6	110.0162	0.481	6	110.5037	1.897	15	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,3|C<3>}	110.5280	0.000	1	110.5280	0.000	1	110.5037	1.897	15	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,3|C<3>}	108.7550	0.000	1	109.7290	1.897	2	110.5037	1.897	15	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>}	110.7030	0.000	1	109.7290	1.897	2	110.5037	1.897	15	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	109.3260	0.000	1	109.3260	0.000	1	110.5037	1.897	15	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|I<1>,2|C<3>}	110.2650	0.000	1	110.2650	0.000	1	110.5037	1.897	15	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]N){1|H<1>,1|S<4>,3|C<3>}	113.3255	1.480	2	113.3255	2.190	2	110.5037	1.897	15	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	110.6155	0.203	2	110.6155	0.041	2	110.5037	1.897	15	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	108.3680	0.000	1	107.4430	1.711	2	109.7871	3.550	7	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]O){2|C<4>,3|C<3>}	106.5180	0.000	1	107.4430	1.711	2	109.7871	3.550	7	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	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[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){1|N<2>,4|C<3>}	111.5990	0.000	1	111.7950	0.077	2	109.7871	3.550	7	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<3>}	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[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	111.9910	0.000	1	111.7950	0.077	2	109.7871	3.550	7	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	110.4390	0.000	1	110.0113	0.153	3	109.7871	3.550	7	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	109.7975	0.177	2	110.0113	0.153	3	109.7871	3.550	7	110.3222	1.665	34	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5]O)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])(OH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5]O){1|C<4>,5|C<3>}	106.6290	0.000	1	106.6290	0.000	1	106.6290	0.000	1	109.5176	2.298	7	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O){1|H<1>,1|O<1>,4|C<3>}	109.6130	0.337	2	109.6130	0.113	2	109.6130	0.113	2	109.5176	2.298	7	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	3:4:	C[5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](C[5]C[5a]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]O[5])	C[5](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5]C[5,6a])2{1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5a]O[5]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]O[5]){1|H<1>,1|N<2>,5|C<3>}	110.1920	1.079	4	110.1920	1.165	4	110.1920	1.165	4	109.5176	2.298	7	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC)	C[6a](C[5]C[5,6a]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(OC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O){4|C<3>}	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3492	0.831	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]O){4|C<3>}	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	108.3492	0.831	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5]){6|C<3>}	108.4790	0.000	1	108.4790	0.000	1	108.4020	1.369	4	108.3492	0.831	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]F)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]F)2{1|O<1>,2|F<1>,3|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]C){1|O<1>,3|C<3>}	106.7230	0.000	1	106.7230	0.000	1	108.4020	1.369	4	108.3492	0.831	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(OH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5]){1|O<1>,5|C<3>}	109.2030	0.000	2	109.2030	0.000	2	108.4020	1.369	4	108.3492	0.831	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(CC[6a]C){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|H<1>,5|C<3>}	106.4470	0.919	4	106.4470	0.845	4	106.4470	0.845	4	107.2115	1.910	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH)	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)	C[5](C[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(NCH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N){1|H<1>,5|C<3>}	108.7040	0.000	1	108.7040	0.000	1	108.7405	0.003	2	107.2115	1.910	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC)	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(NCC){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]N)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N){1|H<1>,1|O<1>,4|C<3>}	108.7770	0.000	1	108.7770	0.000	1	108.7405	0.003	2	107.2115	1.910	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	107.2330	2.209	3	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:N-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(NCC)	C[6a](C[5]C[5,6a]O[5]N)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(NCC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]N)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]O){4|C<3>}	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.2330	2.209	3	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|H<1>,3|C<3>}	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	107.2330	2.209	3	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	3:4:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,6|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C){1|H<1>,5|C<3>}	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:2:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]C)(N[5]C[5]){4|C<3>}	107.2990	0.044	2	107.2990	0.002	2	107.2990	0.002	2	107.2990	0.002	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	106.1225	0.127	2	106.1225	0.016	2	107.0400	2.533	3	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	108.8750	0.000	1	108.8750	0.000	1	107.0400	2.533	3	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){4|C<3>}	107.5230	0.000	1	107.5230	0.000	1	108.8305	1.758	4	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C){4|C<3>}	110.5480	0.000	1	110.5480	0.000	1	108.8305	1.758	4	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){4|C<3>}	108.6255	0.729	2	108.6255	0.531	2	108.8305	1.758	4	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N){4|C<3>}	108.9650	0.000	1	108.9650	0.000	1	109.5321	0.887	11	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]){6|C<3>}	107.7080	0.000	1	107.7080	0.000	1	109.5321	0.887	11	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|H<1>,3|C<3>}	109.0990	0.255	2	109.0990	0.065	2	109.5321	0.887	11	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N){1|H<1>,3|C<3>}	110.3868	0.542	4	110.3868	0.294	4	109.5321	0.887	11	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,1|S<4>,2|C<3>}	110.1750	0.000	1	110.1750	0.000	1	109.5321	0.887	11	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	109.4790	0.000	1	109.1300	0.244	2	109.5321	0.887	11	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,1|S<4>,2|C<3>}	108.7810	0.000	1	109.1300	0.244	2	109.5321	0.887	11	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	108.4840	0.000	1	108.4840	0.000	1	108.5445	0.290	6	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){1|H<1>,1|O<2>,3|C<3>}	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[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	107.6310	0.000	1	107.6310	0.000	1	108.5445	0.290	6	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	108.7880	0.354	4	108.7880	0.125	4	108.5445	0.290	6	108.8567	1.573	24	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	3:4:3:	4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H)	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O[5])(C[6a]N[6a]H){1|C<4>,1|H<1>,8|C<3>}	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O){6|C<3>}	105.6780	0.000	1	105.6780	0.000	1	105.6780	0.000	1	105.6780	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	3:4:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)2(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]2C[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	108.0575	0.367	2	108.0575	0.135	2	108.0575	0.135	2	107.4885	0.260	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	3:4:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,1|O<1>,6|C<3>}	106.9080	0.000	1	106.9945	0.015	2	106.9945	0.015	2	107.4885	0.260	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	3:4:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,1|O<1>,6|C<3>}	107.0810	0.000	1	106.9945	0.015	2	106.9945	0.015	2	107.4885	0.260	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	3:4:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[5]-4:C[5a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,8|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[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,7|C<3>}	107.4480	0.000	1	107.4480	0.000	1	107.4480	0.000	1	107.4885	0.260	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	3:4:	C[6a]-3:C[5]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,7|C<3>}	107.3790	0.000	1	107.3790	0.000	1	107.3790	0.000	1	107.4885	0.260	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2N[5])(N[5]C[5])	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5]){4|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2N[5])(N[5]C[5]){1|H<1>,5|C<3>}	108.5475	1.593	4	108.5475	2.537	4	108.5680	1.600	6	108.5680	1.600	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]2N[5])(N[5]C[5])	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	O[5](C[5]C[6a]2N[5])(N[5]C[5]){1|N<3>,5|C<3>}	108.1710	0.000	1	108.1710	0.000	1	108.5680	1.600	6	108.5680	1.600	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2N[5])(N[5]C[5])	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]2N[5])(N[5]C[5]){1|N<3>,5|C<3>}	109.0470	0.000	1	109.0470	0.000	1	108.5680	1.600	6	108.5680	1.600	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O){6|C<3>}	109.3000	0.000	1	109.3000	0.000	1	107.0095	1.094	23	107.1389	1.614	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]N){6|C<3>}	106.6795	1.081	12	106.6795	1.170	12	107.0095	1.094	23	107.1389	1.614	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,6|C<3>}	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O){6|C<3>}	106.9670	1.252	2	107.1765	0.485	10	107.0095	1.094	23	107.1389	1.614	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	O[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O){6|C<3>}	107.2289	0.620	8	107.1765	0.485	10	107.0095	1.094	23	107.1389	1.614	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)2(C[5]C[5]C)(O[5]C[5]){1|C<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]C){1|C<2>,1|C<4>,4|C<3>}	107.2340	1.818	6	107.2340	3.305	6	107.2340	3.305	6	107.1389	1.614	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5])	C[6a](C[5]N[5]2O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]2O[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5]2)(C[5]C[5]C){1|H<1>,1|S<4>,5|C<3>}	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	107.1389	1.614	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5])	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	109.4960	0.000	1	109.4960	0.000	1	109.3415	2.394	4	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	107.2210	0.000	1	109.0745	6.871	2	109.3415	2.394	4	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	110.9280	0.000	1	109.0745	6.871	2	109.3415	2.394	4	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>}	109.7210	0.000	1	109.7210	0.000	1	109.3415	2.394	4	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(B[5]N[5]Ir)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]B[5]){1|Ir<8>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]2C[5])(B[5]N[5]Ir){1|C<4>,1|H<1>,5|C<3>}	107.0285	1.822	2	107.0285	3.320	2	107.0285	3.320	2	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]C){1|C<4>,1|H<1>,5|C<3>}	107.1580	0.547	2	107.1580	0.300	2	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]O){2|C<4>,2|H<1>,4|C<3>}	106.4855	2.934	2	106.4855	8.607	2	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	107.5637	0.901	4	107.5637	0.812	4	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]2C[5])(C[5]N[5]O)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	107.7918	0.506	4	107.3452	0.797	6	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]2C[5])(C[5]N[5]O)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	106.4520	0.909	2	107.3452	0.797	6	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]N[5]O)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	107.6110	0.978	10	107.6331	1.155	24	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]N[5]O)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	107.8530	1.249	2	107.6331	1.155	24	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]N[5]O)	C[5](C[6a]C[6a]2)2(C[5]N[5]CH)(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]N[5]O){1|C<4>,1|H<1>,5|C<3>}	107.6148	1.216	12	107.6331	1.155	24	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)2(C[5]N[5]HH)(O[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<2>,4|C<3>,4|H<1>}	O[5](C[5]C[6a]2C[5])(C[5]C[6a]N[5]){2|H<1>,6|C<3>}	107.6933	1.439	8	107.6933	2.071	8	107.5294	1.323	46	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5])	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	107.6842	1.598	54	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:2:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[5a,6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,1|N<2>,3|C<3>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]O[5]H)(C[6a]O[6a]H){1|C<2>,1|C<4>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	110.8690	0.000	1	110.8690	0.000	1	110.0405	1.373	2	110.0405	1.373	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]H){2|C<3>,3|H<1>}	109.2120	0.000	1	109.2120	0.000	1	110.0405	1.373	2	110.0405	1.373	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:2:	3:4:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]H)	C[5](C[6a]C[6a]N[6a])(P[5]C[5,6a]CO)(O[5]C[5,6a])(H){1|H<1>,4|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:2:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	108.1900	0.000	1	108.1900	0.000	1	108.7610	0.652	2	108.7610	0.652	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:2:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]C[5]H)(C[5]N[5]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]C)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]H){1|C<4>,1|N<2>,2|C<3>}	109.3320	0.000	1	109.3320	0.000	1	108.7610	0.652	2	108.7610	0.652	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	110.7070	0.000	1	109.1418	2.276	6	109.1418	2.276	6	109.1418	2.276	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	109.4840	0.000	1	109.1418	2.276	6	109.1418	2.276	6	109.1418	2.276	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	108.6650	1.623	4	109.1418	2.276	6	109.1418	2.276	6	109.1418	2.276	6	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]B[5])(H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|O<2>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5]){2|C<3>,2|H<1>,2|O<2>}	110.9705	0.811	4	110.9705	0.658	4	110.9705	0.658	4	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.5545	1.606	2	109.5545	2.579	2	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.2777	1.599	3	109.2777	2.558	3	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|H<1>,4|C<3>}	108.1260	0.000	1	108.1260	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.1200	0.000	1	109.6975	0.248	4	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	109.8975	0.547	2	109.6975	0.248	4	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.8750	0.000	1	109.6975	0.248	4	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	110.0117	1.007	4	109.7434	0.636	9	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|F<1>,1|S<2>,2|C<3>,2|H<1>}	108.7530	0.000	1	109.7434	0.636	9	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	109.9300	0.000	1	109.7434	0.636	9	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	110.3440	0.000	1	109.7434	0.636	9	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	109.3160	0.000	1	109.7434	0.636	9	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){2|H<1>,3|C<3>}	109.3010	0.000	1	109.7434	0.636	9	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){1|S<2>,2|H<1>,4|C<3>}	110.1320	0.000	1	109.1905	1.773	2	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	108.2490	0.000	1	109.1905	1.773	2	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	109.5640	0.000	1	109.5640	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.9390	0.000	1	110.9390	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	109.4440	1.441	2	110.1049	0.804	8	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	109.9753	0.497	4	110.1049	0.804	8	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	111.0250	0.421	2	110.1049	0.804	8	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|P<4>,2|C<3>,3|H<1>}	108.6820	0.000	1	108.6820	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|S<2>,2|C<3>,3|H<1>}	109.4750	0.000	1	109.2740	0.081	2	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|S<2>,2|H<1>,3|C<3>}	109.0730	0.000	1	109.2740	0.081	2	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,3|C<3>}	110.2580	0.000	1	110.2580	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,4|C<3>}	110.6150	0.000	1	110.6150	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	111.6710	0.000	1	110.9180	1.134	2	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	110.1650	0.000	1	110.9180	1.134	2	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	109.3355	1.111	2	109.7247	0.560	15	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	109.7845	0.722	13	109.7247	0.560	15	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|C<4>,1|H<1>,2|C<3>}	111.3180	0.000	1	109.7270	1.543	5	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	109.9315	0.228	2	109.7270	1.543	5	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){2|H<1>,3|C<3>}	107.8600	0.000	1	109.7270	1.543	5	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|H<1>,4|C<3>}	109.5940	0.000	1	109.7270	1.543	5	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	109.9930	0.000	1	109.9930	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	108.7270	0.000	1	108.7270	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]HS)(O[5]C[5])(H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|H<1>,1|S<4>,2|C<3>}	109.3560	0.000	1	109.3560	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	110.1150	0.000	1	110.1150	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|H<1>}	111.1860	0.000	1	111.1860	0.000	1	109.7634	0.829	63	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]P[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H){2|H<1>,3|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]P[5]H)(C[5]C[6a]N[5]){1|C<4>,1|W<6>,4|C<3>}	107.3880	0.000	1	107.3880	0.000	1	107.9795	0.700	2	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:P[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]P[5]H)(C[5]N[5]C)	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]P[5]H)(C[5]N[5]C){1|C<4>,1|W<6>,2|C<3>}	108.5710	0.000	1	108.5710	0.000	1	107.9795	0.700	2	109.7817	0.974	69	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]O)(N[5]C[5]){2|C<4>,3|C<3>}	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:3:	C[6a]-3:C-4:N[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O){3|C<3>}	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:3:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(N[5]C[5]){2|H<1>,3|C<3>}	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	107.5510	0.000	1	107.5510	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|F<1>,2|C<3>,3|H<1>}	109.5800	0.000	1	109.5800	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	109.5450	0.000	1	109.5450	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	107.7350	0.000	1	107.7350	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	109.0660	0.000	1	109.0660	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	111.9860	0.000	1	111.7970	0.071	2	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C){2|C<3>,4|H<1>}	111.6080	0.000	1	111.7970	0.071	2	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	109.1170	1.088	2	109.1170	1.183	2	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	108.0010	0.000	1	108.0010	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	107.8800	0.000	1	107.8800	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]S){1|C<4>,1|H<1>,3|C<3>}	108.4330	0.000	1	108.4330	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]H){1|H<1>,3|C<3>}	109.6650	0.000	1	109.6650	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]N){1|C<4>,2|C<3>,2|H<1>}	106.7410	0.000	1	106.7410	0.000	1	109.0018	2.260	14	109.0018	2.260	14	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:3:	C[6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]2)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]2)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	3:4:4:2:	4:3:3:	4:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	3:4:3:	4:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O){1|C<4>,1|N<3>,4|C<3>}	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H)	C[5](C[5,6]C[5,6,6a]C[6,6a]O)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	106.1715	0.418	2	106.1715	0.175	2	106.1715	0.175	2	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	108.9370	0.000	1	108.9370	0.000	1	109.1243	0.026	3	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	O[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,4|C<3>}	109.2180	0.000	2	109.2180	0.000	2	109.1243	0.026	3	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H){1|C<2>,1|C<4>,5|C<3>}	109.7820	0.000	1	109.7820	0.000	1	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	109.3930	0.000	1	109.3930	0.000	1	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|H<1>,1|O<2>,5|C<3>}	109.4450	0.000	1	109.0424	1.540	7	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	108.6317	1.527	3	109.0424	1.540	7	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	109.3190	1.357	3	109.0424	1.540	7	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	110.3277	0.484	4	110.3277	0.234	4	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){2|H<1>,5|C<3>}	108.7266	0.912	5	108.7266	0.832	5	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){3|H<1>,4|C<3>}	108.5550	0.000	1	108.5550	0.000	1	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H){2|H<1>,4|C<3>}	109.7650	0.000	1	109.7650	0.000	1	109.2868	1.085	20	109.0181	1.605	25	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[3,5]C[6a]H)(N[5]C[5])	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H){3|C<3>,6|H<1>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[3,5]C[6a]H)(N[5]C[5]){2|C<4>,3|C<3>}	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]){1|C<4>,1|H<1>,3|C<3>}	108.3660	0.000	1	108.3660	0.000	1	109.6540	1.814	3	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]){1|C<4>,1|H<1>,3|C<3>}	110.2980	1.068	2	110.2980	1.140	2	109.6540	1.814	3	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	110.1280	0.000	1	110.1280	0.000	1	110.8791	0.455	8	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	111.8660	0.000	1	111.8660	0.000	1	110.8791	0.455	8	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	110.9130	0.000	1	110.9130	0.000	1	110.8791	0.455	8	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	111.6890	0.000	1	111.0337	0.253	4	110.8791	0.455	8	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	110.8710	0.412	2	111.0337	0.253	4	110.8791	0.455	8	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	110.7040	0.000	1	111.0337	0.253	4	110.8791	0.455	8	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,1|H<1>,3|C<3>}	109.9910	0.000	1	109.9910	0.000	1	110.8791	0.455	8	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-2:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){1|H<1>,4|C<3>}	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	110.4405	0.913	13	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	B[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]B[5]O[5]H)(C[6a]C[6a]F)2	O[5](C[5]C[6a]B[5]H)(B[5]O[5]C)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|F<1>,6|C<3>}	C[6a](C[5]B[5]O[5]H)(C[6a]C[6a]F)2{1|B<3>,1|O<2>,2|F<1>,3|C<3>}	O[5](C[5]C[6a]B[5]H)(B[5]O[5]C){4|C<3>}	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]Br)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|Br<1>,2|C<3>,2|C<4>}	109.8340	0.000	1	109.8340	0.000	1	109.3153	0.840	6	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,3|C<3>}	108.1250	0.000	1	108.7030	0.374	3	109.3153	0.840	6	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,3|C<3>}	108.9920	0.496	2	108.7030	0.374	3	109.3153	0.840	6	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	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[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.9745	1.091	2	109.9745	1.190	2	109.3153	0.840	6	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|N<3>,2|O<1>,3|C<3>,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[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O){1|C<4>,1|N<3>,4|C<3>}	109.0375	0.470	2	109.0375	0.221	2	110.0023	2.903	3	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]O){1|C<4>,1|N<3>,4|C<3>}	111.9320	0.000	1	111.9320	0.000	1	110.0023	2.903	3	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){2|C<3>,2|C<4>,2|H<1>}	109.8275	0.542	2	109.8275	0.294	2	109.7350	1.275	10	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){2|C<3>,2|C<4>,2|H<1>}	110.8910	0.000	1	109.8421	1.702	7	109.7350	1.275	10	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,2|H<1>,3|C<3>}	110.1680	1.908	2	109.8421	1.702	7	109.7350	1.275	10	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,1|H<1>,4|C<3>}	110.3090	0.000	1	109.8421	1.702	7	109.7350	1.275	10	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,1|H<1>,4|C<3>}	108.0620	0.000	1	109.8421	1.702	7	109.7350	1.275	10	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.7010	0.000	1	109.8421	1.702	7	109.7350	1.275	10	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,2|H<1>,3|C<3>}	110.5960	0.000	1	109.8421	1.702	7	109.7350	1.275	10	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O){1|C<4>,2|H<1>,3|C<3>}	108.8000	0.000	1	108.8000	0.000	1	109.7350	1.275	10	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O){2|C<4>,3|C<3>}	108.9813	0.446	4	108.9813	0.199	4	109.5818	1.953	5	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O){1|C<4>,4|C<3>}	111.9840	0.000	1	111.9840	0.000	1	109.5818	1.953	5	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|B<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(B[5]B[5]O[5]){1|H<1>,2|O<2>,3|C<3>}	111.7627	0.658	4	111.7627	0.433	4	111.6074	1.072	22	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.7040	0.040	2	111.7536	0.940	16	111.6074	1.072	22	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(B[5]C[5]O[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	111.7606	1.041	14	111.7536	0.940	16	111.6074	1.072	22	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(B[5]C[6a]O[5])	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(B[5]C[6a]O[5]){1|H<1>,5|C<3>}	110.1270	1.517	2	110.1270	2.303	2	111.6074	1.072	22	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|Br<1>,2|C<3>,3|H<1>}	109.9330	0.000	1	109.9330	0.000	1	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,4|C<3>}	109.4490	0.000	1	109.2270	0.099	2	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,5|C<3>}	109.0050	0.000	1	109.2270	0.099	2	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.7410	0.000	1	110.3385	0.324	2	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,4|C<3>}	109.9360	0.000	1	110.3385	0.324	2	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){2|C<4>,3|C<3>}	111.0270	0.000	1	111.0270	0.000	1	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	109.9440	0.000	1	109.9440	0.000	1	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Ir<8>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|Ir<8>,1|H<1>,5|C<3>}	110.0965	1.022	2	111.7564	1.935	9	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<2>,4|C<3>}	110.4770	0.000	1	111.7564	1.935	9	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	112.5230	0.867	6	111.7564	1.935	9	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]C){1|Zn<4>,1|H<1>,3|C<3>}	112.5190	0.000	1	112.5190	0.000	1	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	110.3294	1.274	10	110.3902	1.472	12	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]O){1|H<1>,4|C<3>}	110.6940	1.171	2	110.3902	1.472	12	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S)	C[5](C[5]C[6a]N[5]P)(C[6a]C[6a]2)(O[5]C[5])(H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]S){1|H<1>,1|P<4>,3|C<3>}	108.2180	0.000	1	108.2180	0.000	1	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]O[5]O){1|H<1>,3|C<3>}	111.4120	0.000	1	111.4120	0.000	1	110.7314	1.970	31	110.6140	2.091	78	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)(O[5]C[5,6a])(COO){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,4|C<3>}	109.4670	0.000	1	109.4670	0.000	1	108.3055	2.698	2	108.3055	2.698	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)(O[5]C[5,6a])(CCC){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|N<3>,2|H<1>,4|C<3>}	107.1440	0.000	1	107.1440	0.000	1	108.3055	2.698	2	108.3055	2.698	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]C)(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<2>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O[5](C[5]C[5,5]C[6a]C)(C[5]C[6a]C[5]){1|C<2>,6|C<3>}	107.3715	0.981	2	107.3715	0.962	2	107.3715	0.962	2	108.4163	3.756	3	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(CC[6a]O){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	110.5060	0.000	1	110.5060	0.000	1	110.5060	0.000	1	108.4163	3.756	3	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:4:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|C<2>,2|H<1>,4|C<3>}	107.4910	0.000	1	107.3870	0.022	2	108.0978	0.720	4	108.0978	0.720	4	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:4:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){3|H<1>,4|C<3>}	107.2830	0.000	1	107.3870	0.022	2	108.0978	0.720	4	108.0978	0.720	4	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:4:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|O<2>,2|H<1>,4|C<3>}	109.0510	0.000	1	109.0510	0.000	1	108.0978	0.720	4	108.0978	0.720	4	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:4:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|O<2>,2|H<1>,4|C<3>}	108.5660	0.000	1	108.5660	0.000	1	108.0978	0.720	4	108.0978	0.720	4	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:4:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<2>,4|C<3>}	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	109.0020	0.000	1	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	3:4:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[6a,6a]N[5,6a])(C[5]C[3,5]C[6a]2)	C[5](C[3,5]N[5,6a]C[3]2)(C[6a]C[6a]2)2(O[5]C[5,6a]){1|N<2>,5|C<3>,8|H<1>}	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	O[5](C[5,6a]C[6a,6a]N[5,6a])(C[5]C[3,5]C[6a]2){1|N<2>,2|C<4>,6|C<3>}	106.7605	3.335	2	106.7605	11.125	2	106.7605	11.125	2	107.4649	2.148	16	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	3:4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|H<1>,2|C<4>,6|C<3>}	106.6720	0.912	2	106.6720	0.832	2	107.1010	1.347	10	107.4649	2.148	16	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	3:4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|C<4>,2|H<1>,6|C<3>}	106.3570	0.209	2	107.1170	0.794	4	107.1010	1.347	10	107.4649	2.148	16	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	3:4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6a]CH)(C[6a]C[6a]2)2(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|C<4>,2|H<1>,6|C<3>}	107.8770	0.165	2	107.1170	0.794	4	107.1010	1.347	10	107.4649	2.148	16	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	3:4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])	C[5](C[5]C[5,6a]HN)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5]){1|N<3>,2|H<1>,6|C<3>}	107.2995	1.672	4	107.2995	2.794	4	107.1010	1.347	10	107.4649	2.148	16	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	3:4:	P[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:	C[5](P[5]C[5,6a]CO)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2P[5])	C[5](P[5]C[5,6a]CO)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[6a](C[5]C[6a]O[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2P[5]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	108.7270	0.306	4	108.7270	0.094	4	108.7270	0.094	4	107.4649	2.148	16	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[3,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[3,5]C[6a]2)(C[5]C[5]C)	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|C<3>,8|H<1>}	C[6a](C[5]C[3,5]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	O[5](C[5]C[3,5]C[6a]2)(C[5]C[5]C){2|C<4>,5|C<3>}	106.2415	2.429	2	106.2415	5.900	2	106.2415	5.900	2	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]2)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5]C[5,6]C[6a]2)(C[5]N[5,6]O){1|H<1>,2|C<4>,4|C<3>}	107.8185	0.177	2	107.8185	0.032	2	107.8185	0.032	2	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(B[5]C[5]O[5])	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]B[5]){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|B<3>,1|O<2>,2|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(B[5]C[5]O[5]){1|Fe<10>,2|C<4>,6|C<3>}	107.2685	2.013	4	107.2685	4.052	4	107.2685	4.052	4	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ru<9>,2|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]O){1|Ru<9>,1|C<4>,1|H<1>,4|C<3>}	108.4175	1.063	2	108.4175	1.130	2	106.8105	2.460	22	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	105.9990	2.126	2	105.9990	4.518	2	106.8105	2.460	22	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	107.2815	1.005	4	107.0640	1.032	6	106.8105	2.460	22	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]O){3|H<1>,5|C<3>}	106.6290	1.252	2	107.0640	1.032	6	106.8105	2.460	22	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	106.2053	2.507	4	106.3111	2.941	8	106.8105	2.460	22	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|O<1>,6|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]O){3|H<1>,5|C<3>}	106.4170	0.741	4	106.3111	2.941	8	106.8105	2.460	22	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]N[5]C)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Ni<4>,1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]N[5]C){1|Ni<4>,1|H<1>,5|C<3>}	107.0315	1.932	4	107.0315	3.733	4	106.8105	2.460	22	106.9009	2.518	30	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP2	C[5]	C[6a]	O[5]	4:3:4:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C[6a](C[5]C[5]2O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	108.1410	0.011	2	108.1410	0.000	2	108.1410	0.000	2	108.1410	0.000	2	108.9903	3.306	473	108.7983	3.757	658
474	643	976	0:SP3_SP2_SP3	C[5,3x6]	C[6,6a]	O[5,6]	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[3x6]-4:C[5,6]-4:O[5,6]-2:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6]-4:	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6])	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C)	C[5,3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]O[6]H)(C[5,6]C[6]O[5]C)(O[5,6]C[5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>,4|O<2>}	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6a]	O[5,5]	3:4:3:2:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6,6]C[5,6,6a]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6,6]C[5,6,6a]H){2|C<4>,2|H<1>,4|C<3>}	109.4300	0.000	1	109.4300	0.000	1	109.4300	0.000	1	109.4300	0.000	1	111.0280	1.190	4	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2C)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	111.7215	0.100	2	111.7215	0.010	2	111.5607	0.083	3	111.5607	0.083	3	111.0280	1.190	4	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6,6]	C[6,6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,3x6]-4:C[6,6a]-3:O[5,5]-2:C[5,6]-3:	C[5,5,6,6]-4:C[6,6a,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H)	C[5,5,6,6](C[5,5,3x6]C[5,5,6,6]2H)(C[6,6a]C[6,6a,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,6,6]C[5,5,3x6]C[6,6a]C[5,6])(C[5,5,6]C[5,5,6,6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	111.2390	0.000	1	111.2390	0.000	1	111.5607	0.083	3	111.5607	0.083	3	111.0280	1.190	4	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5])	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]HH)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>,5|C<4>}	O[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[5]HH){3|C<3>,3|C<4>,3|H<1>}	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	111.1427	4.081	3	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6,6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:O[5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5])	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5]C[5,6]CH)	C[5,5,6](C[5,5,6,6]C[5,6a]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5]C[5,6]CH){1|C<4>,1|H<1>,5|C<3>}	112.2865	0.558	2	112.2865	0.311	2	112.2865	0.311	2	112.2865	0.311	2	111.1427	4.081	3	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:2:3:3:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|P<4>,8|C<3>}	109.9403	1.489	3	110.7630	2.839	7	110.5323	2.860	8	110.5323	2.860	8	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:2:3:3:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|C<4>,1|S<4>,6|C<3>}	111.5750	0.000	1	110.7630	2.839	7	110.5323	2.860	8	110.5323	2.860	8	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:2:3:3:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{8|C<3>}	110.9745	2.881	2	110.7630	2.839	7	110.5323	2.860	8	110.5323	2.860	8	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:2:3:3:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|H<1>,8|C<3>}	111.9960	0.000	1	110.7630	2.839	7	110.5323	2.860	8	110.5323	2.860	8	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:2:3:3:	4:3:3:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|C<4>,1|S<4>,6|C<3>}	108.9170	0.000	1	108.9170	0.000	1	110.5323	2.860	8	110.5323	2.860	8	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:3:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<2>,1|C<4>,7|C<3>}	110.6393	1.420	3	110.6393	2.017	3	110.6393	2.017	3	109.4178	9.521	16	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:3:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2{8|C<3>}	110.4850	0.542	3	110.4850	0.294	3	108.9903	11.814	12	109.4178	9.521	16	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:3:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2{8|C<3>}	105.4652	1.328	5	105.4652	1.762	5	108.9903	11.814	12	109.4178	9.521	16	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:3:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2{8|C<3>}	109.6120	0.000	1	112.2755	3.438	4	108.9903	11.814	12	109.4178	9.521	16	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:3:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]2O[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]2C[6a])2{8|C<3>}	113.1633	0.654	3	112.2755	3.438	4	108.9903	11.814	12	109.4178	9.521	16	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:3:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]C[6a]){2|C<4>,7|C<3>}	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	109.4178	9.521	16	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:3:4:2:	4:3:3:	4:4:	C[5,6,6a]-3:C[6a]-3:C[5,6]-4:O[5,5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6]){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,2|H<1>,5|C<3>}	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	108.9510	0.000	1	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<4>,5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|H<1>,2|C<4>,6|C<3>}	108.5870	0.000	1	108.5870	0.000	1	110.2475	1.773	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	111.6440	0.000	1	110.6480	1.984	2	110.2475	1.773	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]Cl)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|S<2>,5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	109.6520	0.000	1	110.6480	1.984	2	110.2475	1.773	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|H<1>,2|C<4>,6|C<3>}	109.6010	0.000	1	110.5340	1.778	3	110.2475	1.773	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	112.0610	0.000	1	110.5340	1.778	3	110.2475	1.773	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|S<2>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	109.9400	0.000	1	110.5340	1.778	3	110.2475	1.773	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C[6a])2{2|H<1>,8|C<3>}	111.6748	0.609	6	111.6748	0.371	6	111.6748	0.371	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]C)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<2>,1|C<4>,7|C<3>}	112.0870	0.703	3	112.0870	0.494	3	110.4715	6.226	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[6]H)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<4>,2|H<1>,7|C<3>}	109.9200	2.773	2	109.9200	7.691	2	110.4715	6.226	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6]2)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,6|C<3>,7|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]C[6a]){2|C<4>,7|C<3>}	106.7280	0.000	1	106.7280	0.000	1	110.4715	6.226	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]S)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|N<2>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]S){3|H<1>,5|C<3>}	108.0180	0.000	1	108.0180	0.000	1	109.7548	1.079	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|H<1>,8|C<3>}	110.5330	0.000	1	110.5330	0.000	1	109.7548	1.079	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<1>,2|O<2>,3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])2{1|P<4>,8|C<3>}	109.7423	0.625	3	109.7423	0.391	3	109.7548	1.079	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]P[5,6]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]P[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|Cl<1>,1|W<6>,3|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,4|H<1>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]P[5,6]C[6a]){1|Cl<1>,1|W<6>,2|H<1>,6|C<3>}	110.7510	0.000	1	110.7510	0.000	1	109.7548	1.079	6	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:2:3:	4:3:3:	4:4:	C[5,6,6a]-3:P[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(P[5,6]C[5,6]ClW)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]O[5,5]P[5,6])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]P[5,6]C[6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(P[5,6]C[5,6]ClW)(O[5,5]C[5,5,6])(C[6a]C[6a]2){5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,6,6a]O[5,5]P[5,6])(C[6a]C[6a]H)2{1|Cl<1>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]P[5,6]C[6a]){1|Cl<1>,1|W<6>,2|H<1>,6|C<3>}	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	110.5558	2.476	25	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	3:4:3:2:	4:3:3:	4:4:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:O[5,5]-2:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6])	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[3]H)(C[6a]C[6,6a]C[6a])(O[5,5]C[5,5,6]){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,5|C<4>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C[6a])(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,2|H<1>,5|C<3>}	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:2:2:3:	4:3:3:	5:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	P[3x5,6]-5:C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]O[5,5]O[5,6])(C[6a]C[6a]H)2	O[5,5](P[3x5,6]C[5,6]O[5,6]O[5]2)(C[5,5,6]C[5,6]O[5,6]C[6a])	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,5,6]C[5,6]O[5,5]O[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,3|H<1>}	O[5,5](P[3x5,6]C[5,6]O[5,6]O[5]2)(C[5,5,6]C[5,6]O[5,6]C[6a]){1|H<1>,3|C<3>,4|C<4>}	115.1435	0.238	2	115.1435	0.057	2	115.1435	0.057	2	115.1435	0.057	2	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:2:4:3:	4:3:3:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[5,6]C[5,6]HS)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	O[5,5](C[5,5,6,6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6]2C[6a]){1|S<4>,2|C<3>,4|C<4>,6|H<1>}	113.2210	0.000	1	113.2210	0.000	1	113.2210	0.000	1	113.2210	0.000	1	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[3,3x5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[3,3x5,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[3,3x5,6]C[5,6,6a]C[6a])2	C[5,5,6](C[3,3x5,6]C[3,3x5,6]C[3,5,5,6]2)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,5,6]C[3,3x5,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	O[5,5](C[5,5,6]C[3,3x5,6]C[5,6,6a]C[6a])2{4|C<4>,6|C<3>}	111.0755	0.006	2	111.0755	0.000	2	111.0755	0.000	2	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2{2|H<1>,8|C<3>}	111.6732	1.032	6	111.6732	1.064	6	111.5692	0.778	10	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[4,5,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2	C[5,5,6](C[4,5,6]C[4,5,6]C[4,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[4,5,6]O[5,5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C[6a])2{2|H<1>,8|C<3>}	111.4133	0.711	4	111.4133	0.506	4	111.5692	0.778	10	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2{1|H<1>,2|C<4>,7|C<3>}	109.5085	0.132	2	109.5085	0.017	2	110.7015	4.148	16	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2{1|H<1>,2|C<4>,7|C<3>}	109.4350	3.357	2	110.8719	4.535	14	110.7015	4.148	16	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2{2|C<4>,2|H<1>,6|C<3>}	109.5505	2.820	4	110.8719	4.535	14	110.7015	4.148	16	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C[6a])2{2|C<4>,2|H<1>,6|C<3>}	111.8919	0.792	8	110.8719	4.535	14	110.7015	4.148	16	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6]C[5,6,6]C[3,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<4>,2|H<1>,7|C<3>}	108.2780	0.000	1	108.2780	0.000	1	108.8415	0.635	2	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2	C[5,5,6](C[5,6,6]C[5,6,6]C[4,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])2{1|C<4>,2|H<1>,7|C<3>}	109.4050	0.000	1	109.4050	0.000	1	108.8415	0.635	2	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:3:2:3:	4:3:3:	4:4:	C[5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:P[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(P[5,5,6]C[5,6,6a]C[5,6,6]Mo)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]P[5,5,6])(C[6a]C[6a]2){1|Mo<6>,1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,5,6]C[5,6,6a]C[5,6,6]O[5,5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|H<1>,4|C<3>}	O[5,5](C[5,5,6]C[5,6,6a]C[5,6,6]C[6a])(P[5,5,6]C[5,6,6a]C[5,6,6]Mo){2|H<1>,6|C<3>}	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	110.8305	2.899	31	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:4:2:3:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]C[5,6]C){4|C<3>,6|H<1>}	111.3290	0.673	2	111.3290	0.453	2	111.3290	0.453	2	111.3195	0.093	6	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:4:2:3:	4:3:3:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6,6]C[5,6]O[5,5])(C[6a]C[6a]H)2	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6,6]C[5,6]C[6]O[6])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[6a]C[6a]2){2|C<3>,3|C<4>,8|H<1>}	C[6a](C[5,5,6]C[5,6,6]C[5,6]O[5,5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	111.3148	0.063	4	111.3148	0.004	4	111.3148	0.004	4	111.3195	0.093	6	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,5]	4:4:2:3:	4:3:3:	5:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	P[3x5,6]-5:C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2	O[5,5](P[3x5,6]O[5,6]2O[5]2)(C[5,5,6]C[5,6]2C[6a])	C[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,6]O[5,6]CC)(O[5,5]P[3x5,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,5,6]C[5,6]2O[5,5])(C[6a]C[6a]H)2{1|P<5>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5,5](P[3x5,6]O[5,6]2O[5]2)(C[5,5,6]C[5,6]2C[6a]){1|H<1>,3|C<3>,4|C<4>}	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	110.6295	4.295	92	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,6]	4:2:2:3:	4:3:3:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,6]O[5,5]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC)	C[5,5,6](C[5,6]O[5,6]C[6a]H)(O[5,5]P[3x5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,5,6]C[5,6]O[5,5]O[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,3|H<1>}	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC){1|H<1>,3|C<3>,3|O<2>}	106.8590	0.598	2	106.8590	0.358	2	106.8590	0.358	2	106.8590	0.358	2	106.8930	0.182	3	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5,6]	C[6a]	O[5,6]	4:4:2:3:	4:3:3:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[6]O[6])(C[5,6]C[5,6]CC)(O[5,6]C[5,6])(C[6a]C[6a]2){2|C<3>,4|C<4>,7|H<1>}	C[6a](C[5,5,6]C[5,5,6]C[5,6]O[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,6]C[5,5,6]CC){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	106.9610	0.000	1	106.8930	0.182	3	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6a]-3:N[5,5]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5])	C[6a](C[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5]){3|C<3>,6|H<1>}	C[6a](C[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]N[5,5]C[6a]O[5])(C[5]C[5]HH){1|N<2>,2|H<1>,3|C<3>}	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	3:3:4:2:	4:3:2:	4:4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	111.0143	0.304	4	111.0143	0.092	4	111.0143	0.092	4	111.0143	0.092	4	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[5,5]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5])(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	111.5610	1.012	4	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	110.8230	0.000	1	111.1780	0.638	3	111.1780	0.638	3	111.5610	1.012	4	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	C[6a](C[5,5]N[5,5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	111.3555	1.043	2	111.1780	0.638	3	111.1780	0.638	3	111.5610	1.012	4	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|S<4>,4|C<3>,8|H<1>}	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	108.9190	0.000	1	108.9190	0.000	1	108.6310	0.166	2	109.1280	0.824	3	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[5,5a]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|C<3>,8|H<1>}	C[6a](C[5,5]C[5,5a]C[5,5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5a]C[5,5]C[6a])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	108.3430	0.000	1	108.3430	0.000	1	108.6310	0.166	2	109.1280	0.824	3	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	N[5]-3:C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)	C[5,5](N[5]C[6a]O[5])(C[5,5]C[5]2H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	110.1220	0.000	1	110.1220	0.000	1	110.1220	0.000	1	109.1280	0.824	3	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5])	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,5]N[5,5]C[5]H)	C[5,5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[5]C[5,5]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5,5]N[5,5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	109.9358	1.380	11	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.3065	0.764	4	109.3065	0.583	4	109.8008	1.310	10	109.9358	1.380	11	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{1|O<2>,3|H<1>,4|C<3>}	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[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.5460	0.187	2	109.5460	0.035	2	109.8008	1.310	10	109.9358	1.380	11	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH)	C[5,5](C[5,5]O[5]2H)(C[6a]C[6a]2)(O[5]C[5])2{4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]O[5]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]O[5]CH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.4225	1.566	4	110.4225	2.452	4	109.8008	1.310	10	109.9358	1.380	11	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH)	C[5,5](C[5,5]C[5,6]N[5]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]CH){1|C<4>,1|H<1>,5|C<3>}	110.1225	0.070	2	110.1225	0.005	2	109.3212	2.735	4	109.3212	2.735	4	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO){2|C<4>,2|H<1>,4|C<3>}	106.8420	0.000	1	106.8420	0.000	1	109.3212	2.735	4	109.3212	2.735	4	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]HH){1|N<3>,1|S<4>,2|C<4>,4|C<3>}	110.1980	0.000	1	110.1980	0.000	1	109.3212	2.735	4	109.3212	2.735	4	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,5]	C[6a]	O[5]	4:3:4:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5])	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]HH)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,5]C[5,5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	110.2295	1.795	28	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6a]	O[5,6]	3:4:2:3:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O)	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5,6]C[5,5,6])(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,5,6]C[5,5]C[5,6]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	108.8730	0.000	1	108.8730	0.000	1	108.8730	0.000	1	108.7650	0.023	2	109.6293	2.253	3	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6a]	O[5,6]	3:4:2:3:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O)	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]O){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	O[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	108.6570	0.000	1	108.6570	0.000	1	108.6570	0.000	1	108.7650	0.023	2	109.6293	2.253	3	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6a]	O[5,6]	4:3:2:3:	4:3:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:O[5,6]-2:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x5,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C)	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[3x5,6]C[5,5,6]O[5,5]C[5])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[3x5,6])(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	O[5,6](C[5,6,6]C[5,5,6]C[6,6a]C[6])(C[3x5,6]C[5,5,6]O[5,5]C[5]){3|H<1>,4|C<3>,4|C<4>}	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	109.6293	2.253	3	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:2:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5])	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O)	O[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(O[5]C[5,6])	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]O[5])(C[6,6a]C[6a,6a]O[6])(C[6a]N[6a]O){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(O[5]C[5,6]){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	104.3175	0.482	2	104.3175	0.232	2	104.3175	0.232	2	104.3175	0.232	2	104.3175	0.232	2	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6,6]	C[6a]	O[5,6]	4:4:2:3:	4:3:3:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5,6,6]C[5,6,6]C[5,6]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[5,6]C[5,5,6]HH)(O[5,6]C[5,5,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6,6]C[5,6,6]C[5,6]O[5,6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]C){2|C<4>,2|H<1>,5|C<3>}	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6,6]	C[6a]	O[5]	4:2:3:2:	4:3:3:	4:2:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[5,6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5])	C[6a](C[5,6,6]C[5,3x6]O[6,6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6,6]C[5,3x6]O[6,6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(O[5]C[5,6,6]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	108.1650	0.000	1	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:2:2:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,2|C<3>}	110.4980	0.369	4	110.4980	0.136	4	110.2569	0.134	15	110.2569	0.134	15	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:2:2:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H){1|H<1>,5|C<3>}	110.2016	0.339	10	110.2016	0.115	10	110.2569	0.134	15	110.2569	0.134	15	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:2:2:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]HH){1|H<1>,3|C<3>}	109.8450	0.000	1	109.8450	0.000	1	110.2569	0.134	15	110.2569	0.134	15	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:2:2:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC){1|H<1>,3|C<3>}	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	110.5170	0.000	1	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:2:2:3:	3:4:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:N-3:	N[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]O[5,6]N)(C[5,5]C[5,5,6]C[5]H)	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[6,6a]O[5,6]N)(C[5,5]C[5,5,6]C[5]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:2:3:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	108.7300	0.000	1	108.3255	0.327	2	108.3255	0.327	2	108.3255	0.327	2	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:2:3:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	107.9210	0.000	1	108.3255	0.327	2	108.3255	0.327	2	108.3255	0.327	2	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6])(O[5]C[5,5])(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.0680	0.564	2	113.0680	0.318	2	113.0680	0.318	2	113.0680	0.318	2	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	107.9000	0.000	1	107.9000	0.000	1	110.2290	5.228	4	110.2290	5.228	4	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	109.8260	0.328	2	109.8260	0.108	2	110.2290	5.228	4	110.2290	5.228	4	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	O[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	113.3640	0.000	1	113.3640	0.000	1	110.2290	5.228	4	110.2290	5.228	4	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:2:	3:4:3:	4:4:	C[6,6a]-3:N[6]-3:O[5]-2:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O[5]C[5])2{3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]N[6]O[5])(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	110.0275	3.350	2	110.0275	11.220	2	110.0275	11.220	2	110.0275	11.220	2	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|Cl<1>,1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){1|Cl<1>,1|I<1>,3|C<3>}	109.2000	0.000	1	108.7390	0.425	2	108.7390	0.425	2	108.7390	0.425	2	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6,6a]-3:C[5]-3:O[5]-2:O[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6])	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]I)(O[5]C[5])(O[6]C[6]){1|H<1>,1|I<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){2|I<1>,3|C<3>}	108.2780	0.000	1	108.7390	0.425	2	108.7390	0.425	2	108.7390	0.425	2	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>}	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:2:4:	3:4:3:	4:4:	C[6,6a]-3:C[6]-3:O[5]-2:P[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:B[5,5a]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]P[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[6]P[5])(B[5,5a]O[5a]2O[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[5]B[5,5a])(P[5]O[5]CC){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]P[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]C[6]P[5])(B[5,5a]O[5a]2O[5]){1|O<1>,2|C<4>,5|C<3>}	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|N<3>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH){6|C<3>}	108.4485	1.473	4	108.4485	2.171	4	108.8241	1.323	7	108.9524	1.057	9	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(O[5]C[5]){1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	O[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]HH){6|C<3>}	109.3250	0.231	3	109.3250	0.054	3	108.8241	1.323	7	108.9524	1.057	9	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH){2|C<4>,5|C<3>}	109.4015	0.063	2	109.4015	0.004	2	109.4015	0.004	2	108.9524	1.057	9	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,5|C<4>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.6255	0.465	2	109.6255	0.216	2	109.6255	0.216	2	109.8154	0.768	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C)	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6,6]HH)(O[5]C[5,5,6])(H){2|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	O[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	109.8154	0.768	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	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[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	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[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.7480	1.015	2	109.7480	1.031	2	109.3297	1.041	3	109.8154	0.768	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){2|F<1>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.4930	0.000	1	108.4930	0.000	1	109.3297	1.041	3	109.8154	0.768	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.4083	0.945	3	109.9430	0.825	6	109.9430	0.825	6	109.8154	0.768	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.4777	0.558	3	109.9430	0.825	6	109.9430	0.825	6	109.8154	0.768	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:2:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]CC)	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	110.2537	1.527	4	110.2537	2.332	4	110.2537	2.332	4	110.2537	2.332	4	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5,5])(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,6a]C[5]2){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	108.9500	0.000	1	108.9500	0.000	1	108.9500	0.000	1	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>}	109.7630	0.000	1	109.7630	0.000	1	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CO)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.9580	0.000	1	109.9580	0.000	1	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>}	110.3910	0.000	1	110.3910	0.000	1	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Cl<1>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.5390	1.073	2	108.5390	1.152	2	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.5160	0.000	1	110.0025	3.290	11	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,2|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.6370	0.000	1	110.0025	3.290	11	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.8200	0.000	1	110.0025	3.290	11	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.4760	0.000	1	110.0025	3.290	11	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.8177	2.513	3	110.0025	3.290	11	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	111.2815	1.231	4	110.0025	3.290	11	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,4|C<3>}	114.7350	0.000	1	114.7350	0.000	1	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	109.5980	0.000	1	109.5980	0.000	1	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.3370	0.000	1	109.3370	0.000	1	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]H)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	108.1630	0.000	1	108.1630	0.000	1	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(O[5]C[5])(H){1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	109.2530	0.000	1	109.2530	0.000	1	109.9192	3.268	21	109.8752	3.155	22	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:O-2:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH)	C[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[3,6]C[5]O)(O[5]C[5])(OH){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[5,6]C[5,6]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	O[5](C[5,6]C[6,6a]C[5,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>}	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	109.8997	1.757	11	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])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)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	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[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.1805	1.783	2	110.1805	3.178	2	110.1292	1.309	10	109.8997	1.757	11	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O[5]C[5])2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	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[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.4465	2.003	2	109.4465	4.013	2	110.1292	1.309	10	109.8997	1.757	11	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	110.2810	1.133	2	110.2810	1.283	2	110.1292	1.309	10	109.8997	1.757	11	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	110.4855	1.083	2	110.4855	1.172	2	110.1292	1.309	10	109.8997	1.757	11	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6]-4:O[5]-2:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(O[5]C[5])2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|C<4>,5|H<1>}	O[5](C[5,6]C[6,6a]C[6]O[5])(C[5]C[5]CH){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	110.2525	0.930	2	110.2525	0.865	2	110.1292	1.309	10	109.8997	1.757	11	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:2:4:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3){1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<4>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	107.4095	0.378	2	107.6130	0.196	3	107.6130	0.196	3	107.3085	0.501	4	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<4>,4|C<3>}	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	108.0200	0.000	1	107.6130	0.196	3	107.6130	0.196	3	107.3085	0.501	4	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6]-4:C[5]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5])	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	107.3085	0.501	4	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	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[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,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[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	108.4270	0.000	1	108.8150	0.301	2	108.8150	0.301	2	109.5416	0.706	5	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5])	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[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]HH)(C[6]O[6]HH)(O[5]C[5,5]){1|H<1>,1|O<2>,3|C<3>,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[5](C[5,6]C[6,6a]C[5]C[6])(C[5,5]C[5,5]C[5]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	109.2030	0.000	1	108.8150	0.301	2	108.8150	0.301	2	109.5416	0.706	5	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	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[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|H<1>,1|O<2>,3|C<3>,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[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|C<4>,2|C<3>,2|O<2>,7|H<1>}	110.6810	0.000	1	110.0260	0.382	3	110.0260	0.382	3	109.5416	0.706	5	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6])	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[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]HH)(C[6]O[6]HH)(O[5]C[5,6]){1|O<2>,3|C<3>,4|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[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	109.6985	0.346	2	110.0260	0.382	3	110.0260	0.382	3	109.5416	0.706	5	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	3:4:3:	4:4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H)	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	109.0880	0.119	2	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	3:4:3:	4:4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6])	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6a,6a]C[6,6a])(O[5]C[5])(H){1|C<4>,2|O<2>,3|C<3>,7|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]O[6]){2|H<1>,3|C<3>,4|C<4>}	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	109.3320	0.000	1	109.3320	0.000	1	109.3320	0.000	1	109.0880	0.119	2	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	111.1760	0.000	1	111.2065	0.002	2	111.2065	0.002	2	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,3x6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H)	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6,6])(H){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,6]C[5,3x6]C[6,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	111.2370	0.000	1	111.2065	0.002	2	111.2065	0.002	2	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,5,6,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	105.8445	0.264	2	105.8445	0.070	2	107.9042	4.339	5	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	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[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	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[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CC){2|C<3>,2|C<4>,2|H<1>}	108.2950	0.000	1	108.2950	0.000	1	107.9042	4.339	5	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)	C[5,6](C[5,5,6]C[5,5]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.7685	1.303	2	109.7685	1.698	2	107.9042	4.339	5	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	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[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	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[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]H){2|C<3>,3|H<1>,4|C<4>}	112.5225	1.231	2	112.5225	1.516	2	112.7163	0.870	3	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H)	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[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]C[6,6]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	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[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	113.1040	0.000	1	113.1040	0.000	1	112.7163	0.870	3	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6,6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]2H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5]C[5,5,6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5,6]C[5,5,6]2H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	109.7477	6.519	12	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6])	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]2C[5,6])2	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])2(O[5]C[5,6]){1|O<2>,3|H<1>,9|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]2C[5,6])2{10|C<3>,2|H<1>}	107.0865	2.057	4	107.0865	4.233	4	107.0865	4.233	4	107.0865	4.233	4	109.6690	2.909	117	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	2:3:2:4:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:O[6]-2:C[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH)	C[6a](C[5,6]O[5,6]C[5]O[6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(O[6]C[6,6a])(C[5]N[5]CH){3|H<1>,5|C<3>}	C[6a](C[5,6]O[5,6]C[5]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H){1|H<1>,6|C<3>}	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	110.3550	0.000	1	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	2:3:4:2:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5])	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[3,5]C[6]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	108.6570	0.245	2	108.6570	0.060	2	108.4955	0.057	4	108.4554	0.051	5	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	2:3:4:2:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5])	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]C[6]O[5])2	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	O[5,6](C[5,6]C[6a]C[6]O[5])2{1|S<2>,4|C<3>,4|C<4>}	108.3340	0.088	2	108.3340	0.008	2	108.4955	0.057	4	108.4554	0.051	5	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	2:3:4:2:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:Se[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5])	C[6a](C[5,6]O[5,6]Se[5]C[6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5]){1|Se<1>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]O[5,6]Se[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5]){1|Se<1>,1|C<4>,4|H<1>,5|C<3>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	108.4554	0.051	5	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	2:3:4:3:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]N[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	108.4925	0.887	2	108.4925	0.788	2	108.4925	0.788	2	109.1395	0.848	4	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	2:3:4:3:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	C[6a](C[5,6]O[5,6]C[6]N[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6]O[5,6]C[6]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6a]C[6]N[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	109.7865	0.286	2	109.7865	0.082	2	109.7865	0.082	2	109.1395	0.848	4	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	2:3:4:4:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H){2|C<4>,3|C<3>,6|H<1>}	108.5380	0.000	1	108.5380	0.000	1	109.1997	1.948	3	109.1997	1.948	3	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	2:3:4:4:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,6|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	109.5305	1.800	2	109.5305	3.239	2	109.1997	1.948	3	109.1997	1.948	3	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	3:2:3:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H){4|C<3>,4|H<1>}	111.2520	0.000	1	111.2520	0.000	1	110.3850	1.503	2	110.3850	1.503	2	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	3:2:3:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H){4|C<3>,4|H<1>}	109.5180	0.000	1	109.5180	0.000	1	110.3850	1.503	2	110.3850	1.503	2	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	3:3:2:3:	4:3:3:	4:4:	C[5,6a]-3:C[5a,6]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6a]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6a]C[6]){1|H<1>,9|C<3>}	106.1695	1.438	2	106.1695	2.067	2	106.1695	2.067	2	106.4153	0.770	4	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	3:3:2:3:	4:3:3:	4:4:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a])	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	106.6430	0.000	1	106.6610	0.001	2	106.6610	0.001	2	106.4153	0.770	4	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	3:3:2:3:	4:3:3:	4:4:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a])	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[5a,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a]){1|H<1>,1|O<2>,8|C<3>}	106.6790	0.000	1	106.6610	0.001	2	106.6610	0.001	2	106.4153	0.770	4	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	3:3:3:2:	4:3:2:	4:4:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	O[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[5a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6a]O[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[5a]O[6]){2|N<2>,6|C<3>}	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	3:4:2:3:	4:3:3:	4:4:	C[5,6a]-3:C[6]-4:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]O[5,6]C[6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6a]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]C[6a]H)(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6a](C[5,6]C[5,6a]O[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6a]C[6]){1|H<1>,9|C<3>}	109.2395	0.906	2	109.2395	0.820	2	109.2395	0.820	2	109.2395	0.820	2	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	112.2073	0.116	3	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:1:	4:3:3:	4:4:	P[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	B[5,5,6]-4:C[5,6]-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]P[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	O[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a]H)	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(O[5,6]B[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6]P[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|C<4>,2|H<1>}	O[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	112.3370	0.362	2	112.3370	0.131	2	112.3370	0.131	2	112.2073	0.116	3	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:1:	4:3:3:	5:4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	P[3x5,6]-5:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]C[6a]H){3|C<3>,3|C<4>}	110.2360	0.000	1	110.2360	0.000	1	109.9720	0.099	3	109.9720	0.099	3	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:1:	4:3:3:	5:4:	C[5,5,6]-4:O[5,6]-2:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	P[3x5,6]-5:C[5,6]-4:	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H)	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2	O[5,6](P[3x5,6]C[5,6]O[5,5]O[5]2)(C[5,6]C[5,5,6]C[6a]H)	C[5,6](C[5,5,6]O[5,5]O[5,6]C[6a])(O[5,6]P[3x5,6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)2{1|P<5>,2|C<3>,2|H<1>,2|O<2>}	O[5,6](P[3x5,6]C[5,6]O[5,5]O[5]2)(C[5,6]C[5,5,6]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	109.8400	0.307	2	109.8400	0.094	2	109.9720	0.099	3	109.9720	0.099	3	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:2:	4:3:3:	4:4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	109.0475	1.959	2	109.0475	3.839	2	109.4873	2.500	3	109.4873	2.500	3	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:2:	4:3:3:	4:4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	110.3670	0.000	1	110.3670	0.000	1	109.4873	2.500	3	109.4873	2.500	3	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:3:	4:3:3:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5])	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6]C[6,6]C[6a]C[5]){3|C<3>,4|H<1>,5|C<4>}	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:4:	4:3:3:	4:4:	C[5,5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5,6]C[5,5]O[5,6]C[6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5,5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5]O[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	O[5,6](C[5,6]C[5,5]C[6a]C[6])(C[5,6]C[5,5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	108.5450	2.230	5	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:4:	4:3:3:	4:4:	C[5,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	110.1420	0.447	2	110.1420	0.200	2	110.1420	0.200	2	108.5450	2.230	5	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:4:	4:3:3:	4:4:	C[6,6]-4:O[5,6]-2:C[6a]-3:C[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[5]O[5]HH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[6,6]O[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	O[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6a]C[6]O[5]){2|C<4>,4|C<3>,5|H<1>}	107.2490	0.000	1	107.2490	0.000	1	107.2490	0.000	1	108.5450	2.230	5	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:2:3:4:	4:3:3:	4:4:	P[5]-4:O[5,6]-2:C[6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[5,6]O[5,6]C[6]P[5])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5])	C[5,6](P[5]C[6a]Se[5]Se)(O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6]O[5,6]C[6]P[5])(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,2|C<3>,2|C<4>,4|H<1>}	O[5,6](C[5,6]C[6a]Se[5]C[6])(C[5,6]C[6a]C[6]P[5]){1|Se<1>,1|C<4>,4|H<1>,5|C<3>}	107.8600	0.000	1	107.8600	0.000	1	107.8600	0.000	1	108.5450	2.230	5	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:3:2:3:	4:3:3:	4:4:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a])	C[5,6](C[6,6]C[5a,6,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	106.6030	0.000	1	106.6030	0.000	1	107.4385	1.396	2	108.0842	1.027	4	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:3:2:3:	4:3:3:	4:4:	C[6,6]-4:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a])	C[5,6](C[6,6]C[5a,6,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6a]C[6,6]O[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[5a,6]C[6a])(C[5,6]C[5,6a]C[6,6]C[6a]){1|H<1>,1|O<2>,8|C<3>}	108.2740	0.000	1	108.2740	0.000	1	107.4385	1.396	2	108.0842	1.027	4	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5,6]	4:3:2:3:	4:3:3:	4:4:	C[6]-4:C[5]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C)	C[5,6](C[6]C[6,6a]Cl2)(C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5,6]O[5,6]C[5]C[6])(C[6a]C[6a]H)2{2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C){2|Cl<1>,1|H<1>,5|C<3>}	108.7300	0.127	2	108.7300	0.016	2	108.7300	0.016	2	108.0842	1.027	4	109.0399	2.571	41	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	2:3:4:2:	4:3:3:	4:2:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5])	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	O[5](C[5,6]O[5,6]C[6a]C[6])(O[5]C[5,6]){1|S<2>,3|C<3>,3|C<4>}	107.8475	0.054	2	107.8475	0.003	2	107.8475	0.003	2	107.8475	0.003	2	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	2:3:4:2:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[3,5]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5])	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(C[3,5]C[3,5]2C[5,6])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(O[5]C[3,5]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]O[5,6]C[6a]C[6])(C[3,5]C[3,5]2C[5,6]){2|C<4>,4|H<1>,5|C<3>}	110.7235	0.076	2	110.7235	0.006	2	110.7235	0.006	2	110.7235	0.006	2	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	3:2:3:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	108.7420	0.000	1	108.7420	0.000	1	109.5390	1.270	2	109.5390	1.270	2	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	3:2:3:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6]C[6,6a]O[5,6]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]O[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,4|C<3>}	110.3360	0.000	1	110.3360	0.000	1	109.5390	1.270	2	109.5390	1.270	2	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[6,6a]N[5,6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[6,6a]N[5,6]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[5]HH){2|C<4>,5|C<3>}	109.2630	0.455	2	109.2630	0.207	2	109.2630	0.207	2	109.2630	0.207	2	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,4|C<4>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	109.3970	0.054	2	109.3970	0.003	2	109.3970	0.003	2	109.3970	0.003	2	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[5,6,6a]-3:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]HH)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,8|C<3>}	C[6a](C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	O[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	110.4587	0.644	4	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,5|C<3>,8|H<1>}	C[6a](C[5,6]C[6,6a]C[5,6]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	110.8323	0.359	3	110.8323	0.129	3	110.8323	0.129	3	110.4587	0.644	4	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:2:3:2:	4:3:3:	4:4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	108.5425	0.197	2	108.5425	0.039	2	109.1910	1.281	3	109.1910	1.281	3	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:2:3:2:	4:3:3:	4:4:	C[6]-4:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	110.4880	0.000	1	110.4880	0.000	1	109.1910	1.281	3	109.1910	1.281	3	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	109.7705	0.080	2	109.7705	0.006	2	109.7705	0.006	2	108.8156	0.961	9	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5])	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,5]){3|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.8156	0.961	9	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	108.2040	0.908	2	108.2252	0.279	5	108.2252	0.279	5	108.8156	0.961	9	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6])	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5,6]){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6]C[5,6]C[6]H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	108.2393	0.381	3	108.2252	0.279	5	108.2252	0.279	5	108.8156	0.961	9	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH)	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,6]O[5]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[5,6]CH){3|H<1>,4|C<3>}	110.4450	0.000	1	110.4450	0.000	1	110.4450	0.000	1	108.8156	0.961	9	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:3:3:2:	4:3:2:	4:4:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[5,6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,6]N[6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]C[6a]N[6])(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	111.1060	0.680	2	111.1060	0.463	2	111.1060	0.463	2	111.1060	0.463	2	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[6]-4:N[5,6]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH)	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]N[5,6]C[6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5,6]	C[6a]	O[5]	4:4:3:2:	4:3:3:	4:4:	C[5,6]-4:C[6]-4:C[6a]-3:O[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[5]C[5]){6|C<3>,7|H<1>}	C[6a](C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH){1|N<3>,4|C<3>,4|H<1>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	109.4884	1.298	30	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:2:3:1:	3:3:4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,5,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	111.1615	1.087	2	111.1615	1.181	2	111.1615	1.181	2	111.1396	2.724	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:2:3:1:	3:3:4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[6a]O[5]H){1|H<1>,3|C<3>,3|C<4>}	111.8520	0.000	1	111.8520	0.000	1	111.1352	3.199	10	111.1396	2.724	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:2:3:1:	3:3:4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.3800	0.874	2	110.6438	1.456	5	111.1352	3.199	10	111.1396	2.724	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:2:3:1:	3:3:4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	111.6505	0.828	2	110.6438	1.456	5	111.1352	3.199	10	111.1396	2.724	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:2:3:1:	3:3:4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[6a]O[5]H){2|C<4>,2|H<1>,3|C<3>}	109.1580	0.000	1	110.6438	1.456	5	111.1352	3.199	10	111.1396	2.724	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:2:3:1:	3:3:4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	108.2430	0.000	1	111.5703	6.828	4	111.1352	3.199	10	111.1396	2.724	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:2:3:1:	3:3:4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	112.9620	0.000	1	111.5703	6.828	4	111.1352	3.199	10	111.1396	2.724	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:2:3:1:	3:3:4:	4:4:	O[5]-2:O[5]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H)	C[5](O[5]C[5,6,6])2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[6a]O[5]H){2|C<3>,3|H<1>,5|C<4>}	112.5380	2.367	2	111.5703	6.828	4	111.1352	3.199	10	111.1396	2.724	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:3:2:1:	3:3:4:	4:4:	O[5]-2:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[6a]O[5]H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[6a]O[5]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	111.1805	0.052	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:3:2:1:	3:3:4:	4:4:	O[5]-2:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[6a]O[5]H){2|C<3>,2|H<1>,3|C<4>}	111.3410	0.000	1	111.3410	0.000	1	111.3410	0.000	1	111.1805	0.052	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:3:4:1:	4:3:3:	4:4:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H){1|Cl<1>,3|C<3>,3|H<1>,4|C<4>}	110.3803	0.911	3	110.5157	0.627	4	110.5157	0.627	4	110.5157	0.627	4	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	2:3:4:1:	4:3:3:	4:4:	O[5]-2:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H)	C[5](O[5]C[5,5,6])(C[6a]C[6a]2)(C[5]N[5]CH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6]N[5])(C[5]C[6a]C[5]H){2|Cl<1>,2|H<1>,3|C<3>,4|C<4>}	110.9220	0.000	1	110.5157	0.627	4	110.5157	0.627	4	110.5157	0.627	4	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	112.2935	0.510	2	112.2935	0.260	2	111.0817	2.537	4	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a,6a]C[6a])(O[5]C[5])2(H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]O[5]2H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.8700	1.216	2	109.8700	1.479	2	111.0817	2.537	4	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H){1|N<2>,1|O<1>,2|C<2>,4|C<3>}	108.9720	0.000	1	110.2464	1.129	5	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	110.5650	0.910	4	110.2464	1.129	5	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.6270	0.000	1	111.1750	0.601	2	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]2H)(C[5]C[6a]O[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	111.7230	0.000	1	111.1750	0.601	2	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.4580	0.000	1	110.4580	0.000	1	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.3675	0.301	2	110.8538	0.368	6	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|O<2>,3|C<3>,3|H<1>}	110.9210	0.434	2	110.8538	0.368	6	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.6910	0.000	1	110.8538	0.368	6	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	109.8550	0.000	1	110.8538	0.368	6	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]H){1|H<1>,2|C<3>,2|C<4>}	111.5620	0.000	1	111.5620	0.000	1	110.7150	0.670	15	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.9810	0.689	2	111.2586	0.716	5	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.0580	0.419	2	111.2586	0.716	5	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]2H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.2150	0.000	1	111.2586	0.716	5	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.4420	0.000	1	109.4420	0.000	1	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,3|C<3>}	109.5160	0.000	1	109.5160	0.000	1	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	109.8920	0.535	2	111.4079	1.394	7	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	111.9350	0.000	1	111.4079	1.394	7	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	111.8400	0.000	1	111.4079	1.394	7	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.3315	1.124	2	111.4079	1.394	7	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,4|C<3>}	111.6330	0.000	1	111.4079	1.394	7	111.0790	1.328	14	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5,5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(O[5]C[5])(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5,5]CC){4|C<3>}	110.8546	1.089	5	110.8546	1.185	5	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	111.3840	0.000	1	111.3840	0.000	1	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.1060	0.000	1	110.1060	0.000	1	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.8995	0.177	2	109.8995	0.032	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	111.4365	1.145	2	111.4365	1.311	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)(C[5]O[5]2H){2|C<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	111.9135	0.177	2	111.9135	0.032	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]2)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]2)2(C[5]O[5]2H){2|C<4>,2|H<1>,5|C<3>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	111.2890	1.079	2	111.2890	1.164	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>}	110.7790	2.048	2	110.7790	4.193	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	110.9537	1.249	4	110.9537	1.559	4	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>}	111.1380	1.222	2	111.1380	1.493	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.6050	0.116	2	110.6050	0.013	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	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[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>}	114.3510	0.000	1	112.0780	10.333	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	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[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	109.8050	0.000	1	112.0780	10.333	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	110.8180	0.000	1	110.8180	0.000	1	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.9180	0.000	1	110.9180	0.000	1	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|F<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	111.0230	3.531	2	111.0230	12.470	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	111.6540	0.434	2	111.0044	1.244	8	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.7878	1.216	6	111.0044	1.244	8	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|O<2>,2|C<3>,5|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[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.8705	0.442	2	110.8705	0.195	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.7460	2.169	2	110.5131	1.638	10	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.4549	1.189	8	110.5131	1.638	10	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){1|O<2>,2|C<2>,3|C<3>}	110.7120	0.000	1	111.5673	0.556	3	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){1|S<2>,2|C<2>,3|C<3>}	112.0800	0.000	1	111.5673	0.556	3	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	111.9100	0.000	1	111.5673	0.556	3	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	109.3680	0.000	1	109.3680	0.000	1	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,1|N<3>,4|C<3>}	111.7930	0.000	1	111.3432	1.927	9	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	110.0750	0.532	2	111.3432	1.927	9	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	111.7984	1.631	5	111.3432	1.927	9	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	111.1540	0.000	1	111.3432	1.927	9	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	113.5320	0.000	1	110.9576	1.418	15	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|C<4>,3|C<3>}	112.4320	0.000	1	110.9576	1.418	15	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<2>,2|C<3>}	109.0290	0.000	1	110.9576	1.418	15	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	111.3335	0.078	2	110.9576	1.418	15	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){4|C<3>}	111.9930	0.000	1	110.9576	1.418	15	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.4333	0.725	8	110.9576	1.418	15	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	111.2450	0.000	1	110.9576	1.418	15	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>}	108.9480	0.000	1	111.7215	10.021	13	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	111.2230	1.212	2	111.7215	10.021	13	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	112.0986	3.483	10	111.7215	10.021	13	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CN)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CN){1|H<1>,3|C<3>}	110.6900	0.000	1	110.6900	0.000	1	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.9325	0.776	2	110.8042	0.265	4	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.6760	0.358	2	110.8042	0.265	4	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,4|C<4>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	111.4440	0.501	4	111.4440	0.251	4	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){1|H<1>,5|C<3>}	111.7820	1.790	2	111.7820	3.206	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	111.9970	0.119	2	111.9970	0.014	2	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(H){1|Se<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]H)(C[5]C[5]HH){2|C<3>,2|H<1>}	111.0855	1.512	4	111.0855	2.286	4	111.1104	2.386	109	111.0647	2.085	142	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	4:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(N[5]C[5]C){3|C<3>}	107.4810	1.727	2	107.4810	2.982	2	107.4810	2.982	2	107.4810	2.982	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:1:	4:3:3:	4:4:	C[6a]-3:O[5]-2:N[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5,5]C[5]3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:2:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2O)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.4230	0.000	1	109.4230	0.000	1	110.9005	4.366	2	110.9005	4.366	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:2:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:O-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2O)	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]O){1|H<1>,2|C<3>,2|C<4>}	112.3780	0.000	1	112.3780	0.000	1	110.9005	4.366	2	110.9005	4.366	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:2:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O[5]-2:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(O[5]C[5,6])	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(O[5]C[5,6]){2|C<3>,2|C<4>}	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[4,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.0690	0.154	2	110.0690	0.024	2	110.0690	0.024	2	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C){2|C<3>,2|C<4>,4|H<1>}	113.8980	0.000	1	113.8980	0.000	1	112.6440	3.170	3	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,3|C<3>}	113.4280	0.000	1	113.4280	0.000	1	112.6440	3.170	3	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,4|C<3>}	110.6060	0.000	1	110.6060	0.000	1	112.6440	3.170	3	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.7600	1.146	3	110.7600	1.314	3	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	111.2977	0.852	3	111.2977	0.726	3	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	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[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){1|N<2>,2|C<3>}	110.7940	0.000	1	110.7940	0.000	1	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C){5|C<3>}	112.4890	0.436	2	112.4890	0.190	2	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2C){1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){3|C<3>}	113.8260	0.000	1	113.8260	0.000	1	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.8890	0.379	2	110.8890	0.144	2	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){1|O<2>,2|C<3>,5|H<1>}	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[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.7175	2.961	2	110.7175	8.765	2	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	111.4305	0.066	2	111.4305	0.004	2	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.7310	0.000	1	109.7310	0.000	1	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	110.9630	0.000	1	111.3647	2.513	3	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	3:3:4:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	111.5655	2.187	2	111.3647	2.513	3	111.2835	1.688	20	111.3496	1.951	25	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:2:4:	4:3:3:	4:4:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>}	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:3:1:	4:3:3:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.3090	0.000	1	109.5520	0.639	3	109.5520	0.639	3	113.0874	3.314	26	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:3:1:	4:3:3:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	109.1735	0.647	2	109.5520	0.639	3	109.5520	0.639	3	113.0874	3.314	26	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:3:1:	4:3:3:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]N[5]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	112.3960	1.976	2	112.3960	3.903	2	112.3960	3.903	2	113.0874	3.314	26	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:3:1:	4:3:3:	4:4:	C[6a]-3:O[5]-2:C[5]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5,5]-4:	C[5](C[6a]C[6a]2)(O[5]B[5,5])(C[5]O[5]O)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3)	C[5](C[6a]C[6a]2)(O[5]B[5,5])(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(B[5,5]O[5]3){1|C<4>,1|O<1>,3|C<3>}	113.6583	1.272	21	113.6583	1.618	21	113.6583	1.618	21	113.0874	3.314	26	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:3:3:	4:3:3:	4:4:	C[6a]-3:O[5]-2:C[5]-3:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,3|H<1>,4|C<3>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:4:1:	4:3:3:	5:4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	As[5,5]-5:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]As[5,5])(C[5]N[5]CH)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|As<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O[5](As[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){3|C<4>,3|H<1>,4|C<3>}	111.0705	0.851	2	111.0705	0.724	2	111.0705	0.724	2	110.8420	0.518	3	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:2:4:1:	4:3:3:	5:4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[5,5]-5:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|C<4>,1|N<4>,3|H<1>}	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	110.8420	0.518	3	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]O[5]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]O[5]H){2|H<1>,3|C<4>,5|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	110.9300	0.641	3	110.9300	0.410	3	110.9300	0.410	3	110.9300	0.410	3	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	3:4:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(O[5]C[5])(H){1|O<2>,3|H<1>,5|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[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH){4|C<3>}	110.1125	0.197	2	110.1125	0.039	2	110.1125	0.039	2	109.7942	1.099	5	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	3:4:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(O[5]C[5])(H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.3985	0.141	2	110.3985	0.020	2	110.3985	0.020	2	109.7942	1.099	5	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	3:4:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	109.7942	1.099	5	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]N)(O[5]N[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<3>,2|C<4>,4|C<3>}	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	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[5](C[5]C[5,5]C[6a]H)2{2|S<2>,4|C<3>}	110.7382	0.404	8	110.7382	0.164	8	110.7382	0.164	8	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,3|C<3>}	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5,6]C[5,6,6a]C[6]O)(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[5](C[5,6]C[5,6,6a]C[6]O)(C[5]C[5,6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	110.6320	0.000	1	110.6320	0.000	1	110.6320	0.000	1	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[5,6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]H)2{6|C<3>}	110.4880	0.000	1	110.4880	0.000	1	110.4490	1.440	6	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	O[5](C[5]C[5,6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	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[5](C[5]C[5,6a]C[6a]H)2{6|C<3>}	108.9420	0.000	1	108.9420	0.000	1	110.4490	1.440	6	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HH){4|C<3>}	110.2937	0.746	3	110.2937	0.557	3	110.4490	1.440	6	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]HO){4|C<3>}	112.3830	0.000	1	112.3830	0.000	1	110.4490	1.440	6	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CW)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|P<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CW){4|C<3>}	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]H)(Si[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]H)(Si[5]C[5,6a]CC){4|C<3>}	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	O[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]N[5])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){1|C<5>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	O[5](Si[5,5]C[3x3,4x5,12x6]C[5,6a]N[5])(C[5]C[5,6a]C[6a]H){1|B<5>,1|C<4>,1|C<5>,2|B<6>,5|C<3>}	110.2200	0.000	1	110.2200	0.000	1	110.0210	0.079	2	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	O[5](Si[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,3|C<3>}	O[5](Si[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C[6a]H){4|Si<4>,2|C<4>,4|C<3>}	109.8220	0.000	1	109.8220	0.000	1	110.0210	0.079	2	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6])(H){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H){1|H<1>,2|C<4>,3|C<3>}	108.0370	0.000	1	108.0370	0.000	1	108.0370	0.000	1	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]Se)(O[5]C[5,6])(H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|Se<2>,2|C<3>,2|C<4>,4|H<1>}	109.6490	0.000	1	109.6490	0.000	1	109.6490	0.000	1	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){4|C<3>}	110.5010	0.000	1	110.5010	0.000	1	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|C<4>,3|C<3>}	109.6745	0.053	2	109.6927	0.002	3	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){2|C<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	109.7290	0.000	1	109.6927	0.002	3	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)2{2|H<1>,5|C<3>}	108.3080	0.000	1	108.3080	0.000	1	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|O<2>,3|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[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,3|C<3>}	109.0440	0.000	1	109.0440	0.000	1	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.4036	0.437	5	110.4036	0.191	5	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.1230	0.000	1	110.1230	0.000	1	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(O[5]C[5])(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){3|C<3>}	108.9590	0.000	1	108.9590	0.000	1	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC){1|O<1>,3|C<3>}	110.6730	0.000	1	110.6730	0.000	1	109.9074	0.564	14	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){4|C<3>,4|H<1>}	109.9500	0.325	2	109.9500	0.106	2	110.4472	3.992	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,3|H<1>,4|C<3>}	110.9445	3.299	2	110.9445	10.881	2	110.4472	3.992	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	110.6010	0.000	1	110.6668	0.037	4	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	110.6680	0.322	2	110.6668	0.037	4	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	110.7300	0.000	1	110.6668	0.037	4	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,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[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	109.3855	0.315	2	109.8753	0.769	3	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,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[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	110.8550	0.000	1	109.8753	0.769	3	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,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[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>}	110.5730	0.000	1	110.5730	0.000	1	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|O<2>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	112.8460	0.000	1	111.4680	2.283	3	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	111.7060	0.000	1	111.4680	2.283	3	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	109.8520	0.000	1	111.4680	2.283	3	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	108.7628	0.997	5	108.7628	0.995	5	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	111.3950	0.000	1	111.3950	0.000	1	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	109.9800	0.000	1	110.9725	1.970	2	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	111.9650	0.000	1	110.9725	1.970	2	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	110.5945	0.977	2	110.5945	0.954	2	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN){1|O<1>,1|S<4>,2|C<3>}	108.9920	0.000	1	108.9920	0.000	1	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|H<1>,1|S<4>,3|C<3>}	112.6760	0.000	1	112.6760	0.000	1	110.3166	1.810	23	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|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[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	112.8200	0.000	1	112.8200	0.000	1	110.0097	2.183	9	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	109.0650	0.000	1	109.0650	0.000	1	110.0097	2.183	9	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	111.2890	0.000	1	109.7431	1.363	7	110.0097	2.183	9	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	109.4234	1.148	5	109.7431	1.363	7	110.0097	2.183	9	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]HH){1|H<1>,4|C<3>}	109.7960	0.000	1	109.7431	1.363	7	110.0097	2.183	9	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,6,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,6,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5,6,6]C[6a]H)(C[5]C[5,3x6]HH){1|C<4>,4|C<3>}	111.2055	0.952	4	111.2055	0.907	4	111.2055	0.907	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|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[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	108.1580	0.000	1	108.1580	0.000	1	110.2820	2.277	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]N[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,4|C<3>}	110.9900	0.639	3	110.9900	0.408	3	110.2820	2.277	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5,5]CC){5|C<3>}	109.5480	0.000	1	109.5480	0.000	1	109.2947	1.097	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]2H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	108.7050	0.000	1	108.7050	0.000	1	109.2947	1.097	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,7|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CC){4|C<3>}	108.2750	0.000	1	108.2750	0.000	1	109.2947	1.097	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	4:4:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|H<1>,4|C<3>}	110.6510	0.000	1	110.6510	0.000	1	109.2947	1.097	4	110.2254	1.418	84	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:1:	4:3:3:	5:4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a]H)2{1|P<5>,2|H<1>,3|C<3>}	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]H){10|C<3>}	112.6340	1.243	2	112.6340	1.545	2	112.6340	1.545	2	112.6340	1.545	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(OH){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO){1|C<4>,3|C<3>}	107.5895	0.022	2	107.5895	0.000	2	108.9550	3.439	4	109.7198	1.493	32	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[5]-3:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6])	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]C[5])(OC[6,6]){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]O)(C[5]N[5]HO){3|C<3>}	110.3205	1.691	2	110.3205	2.858	2	108.9550	3.439	4	109.7198	1.493	32	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[6a]2O[5])	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]C[6a]2O[5]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	110.2518	0.734	4	110.2518	0.539	4	109.8763	1.465	12	109.7198	1.493	32	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5])	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	109.7042	1.626	6	109.6885	1.951	8	109.8763	1.465	12	109.7198	1.493	32	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5])	C[5](C[6a]C[6a]2)2(O[5]C[5,5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]2O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	109.6415	0.657	2	109.6885	1.951	8	109.8763	1.465	12	109.7198	1.493	32	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)2(O[5]C[5])2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	109.8010	1.116	6	110.0911	1.052	10	109.7937	1.142	16	109.7198	1.493	32	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)2(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){1|C<4>,1|H<1>,4|C<3>}	110.5263	0.812	4	110.0911	1.052	10	109.7937	1.142	16	109.7198	1.493	32	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(O[5]C[5])2	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2	O[5](C[5]C[6a]2O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(O[5]C[5])2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]2O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,4|C<3>}	109.2980	1.031	6	109.2980	1.063	6	109.7937	1.142	16	109.7198	1.493	32	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	108.5425	3.087	6	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[5]-3:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){4|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|H<1>,3|C<3>}	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	108.5425	3.087	6	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CCH){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>}	105.6060	0.000	1	105.6060	0.000	1	108.0500	11.946	2	108.5425	3.087	6	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CC[6a]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]OO){4|C<3>}	110.4940	0.000	1	110.4940	0.000	1	108.0500	11.946	2	108.5425	3.087	6	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(O[5]C[5,6])(C[5]O[5]O){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]2C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	108.9605	0.726	2	108.9605	0.527	2	108.9605	0.527	2	108.5425	3.087	6	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:3:	4:3:3:	4:5:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si[5,5]-5:	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O)	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(Si[5,5]O[5]3O)	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O){3|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]2C[5])(Si[5,5]O[5]3O){1|C<4>,1|O<1>,5|C<3>}	109.0719	0.995	12	109.0719	0.990	12	109.0719	0.990	12	109.0719	0.990	12	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	3:4:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	111.4320	0.617	2	111.4320	0.380	2	111.4320	0.380	2	111.4320	0.380	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:B[5,5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(B[5,5]O[5]3)	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|Rh<4>,1|B<4>,1|C<3>,1|O<2>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(B[5,5]O[5]3){1|Rh<4>,2|C<3>,2|C<4>}	112.0140	0.000	1	112.0140	0.000	1	112.0140	0.000	1	109.0260	8.874	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C){5|C<3>}	110.7680	0.550	2	110.7680	0.303	2	110.7680	0.303	2	109.0260	8.874	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	107.2720	0.000	1	107.5080	0.111	2	106.2093	5.115	3	109.0260	8.874	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	107.7440	0.000	1	107.5080	0.111	2	106.2093	5.115	3	109.0260	8.874	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|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[5](C[5]C[6a]N[5]C)(C[5]C[5]CH){2|H<1>,3|C<3>}	103.6120	0.000	1	103.6120	0.000	1	106.2093	5.115	3	109.0260	8.874	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[5]N[5,5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]N[5,5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	111.0040	0.000	1	111.0040	0.000	1	111.0040	0.000	1	109.0260	8.874	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	5:4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	As[5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|As<5>,2|H<1>,3|C<3>}	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C){10|C<3>}	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	111.4960	0.073	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:2:4:	4:3:3:	5:4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3)	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]O[5]C)(C[6a]C[6a]H)2{1|P<5>,2|H<1>,3|C<3>}	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C){10|C<3>}	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	111.4960	0.073	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]N[5]){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	107.9340	0.081	2	107.9340	0.006	2	107.9340	0.006	2	107.9340	0.006	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[5,6,6]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6,6]C[6a]2)2	C[5](C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[5,6,6]C[6a]2)2{2|C<4>,8|C<3>}	108.4278	1.386	4	108.4278	1.921	4	108.4278	1.921	4	107.7405	3.755	24	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	108.8600	0.387	2	108.8600	0.150	2	108.9025	0.053	4	107.7405	3.755	24	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5,5]){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]2C[5]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	108.9450	0.023	2	108.9450	0.001	2	108.9025	0.053	4	107.7405	3.755	24	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])2	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]C[5]){1|Br<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])2{2|Br<1>,8|C<3>}	107.9942	1.913	4	107.9942	3.660	4	107.9942	3.660	4	107.7405	3.755	24	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(P[5]C[5]OO)	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|P<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]2C[5])(P[5]C[5]OO){1|Br<1>,5|C<3>}	107.3740	1.039	2	107.3740	1.080	2	107.3740	1.080	2	107.7405	3.755	24	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	108.4975	0.491	4	108.4975	0.241	4	106.3533	5.583	8	107.7405	3.755	24	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	O[5](C[5]C[6a]2N[5])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	104.2090	0.725	4	104.2090	0.526	4	106.3533	5.583	8	107.7405	3.755	24	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:3:2:	4:3:3:	4:4:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,6|C<3>,7|H<1>}	C[6a](C[5]C[6a]N[5]O[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH){2|H<1>,5|C<3>}	109.4500	0.501	2	109.4500	0.251	2	109.4500	0.251	2	107.7405	3.755	24	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:2:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[5](C[5]C[6a]2C[5])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	108.6180	4.660	2	108.6180	21.714	2	108.6180	21.714	2	108.6180	21.714	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-3:	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(S[5]O[5]O)	C[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]S[5]){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|S<3>,3|C<3>,4|H<1>}	O[5](C[5]C[6a]2C[5])(S[5]O[5]O){2|H<1>,4|C<3>}	107.6430	0.964	2	107.6430	0.930	2	107.6430	0.930	2	107.6430	0.930	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[5,6a]-3:C[6a]-3:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5])	C[6a](C[5]C[5,6a]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2H)(O[5]C[5]){2|C<4>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[6]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5](C[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	108.4251	1.669	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|O<1>,2|C<3>}	109.7535	0.131	2	109.7535	0.017	2	109.7535	0.017	2	108.4251	1.669	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	107.6090	1.119	2	107.6090	1.251	2	108.0534	1.188	14	108.4251	1.669	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){5|C<3>,6|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]HH){2|H<1>,5|C<3>}	108.2535	2.258	2	108.2535	5.098	2	108.0534	1.188	14	108.4251	1.669	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO){2|C<4>,2|H<1>,4|C<3>}	107.5033	0.494	4	107.7205	0.328	6	108.0534	1.188	14	108.4251	1.669	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO)	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]HO){4|C<3>,4|H<1>}	108.1550	0.584	2	107.7205	0.328	6	108.0534	1.188	14	108.4251	1.669	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)2(C[5]C[5]HO)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH){1|O<2>,3|H<1>,4|C<3>}	108.6748	1.262	4	108.6748	1.592	4	108.0534	1.188	14	108.4251	1.669	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:3:4:2:	4:3:3:	4:4:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5])	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	108.4251	1.669	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:2:	4:4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a])	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO)	C[5](C[6a]C[6a,6a]N[6a])(C[5,5]C[5,5]O[5]H)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HO){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	110.8095	0.964	2	110.8095	0.929	2	110.8095	0.929	2	111.1342	0.450	4	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:2:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:N[6a]-2:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a])	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5,5]HO)(O[5]C[5,5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(N[6a]C[6a,6a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	111.4590	0.024	2	111.4590	0.001	2	111.4590	0.001	2	111.1342	0.450	4	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:3:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[3,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5]C[3,5]O[5]H)(C[6a]C[6a]O)	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)	C[5](C[6a]C[6a,6a]C[6a])(C[3,5]C[3,5]O[3]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|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[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	111.8255	1.986	2	111.8255	3.945	2	111.8255	3.945	2	110.7080	2.617	8	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[5,5]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H)	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,5]C[3x5]C[5]C)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,5]O[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H){1|C<4>,1|N<3>,6|C<3>}	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	110.7080	2.617	8	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	109.9630	0.000	1	109.9630	0.000	1	109.4585	0.509	2	110.7080	2.617	8	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[5,6]-4:O[5]-2:H-1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6]H)(O[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]O[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	108.9540	0.000	1	108.9540	0.000	1	109.4585	0.509	2	110.7080	2.617	8	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,2|H<1>,5|C<3>}	111.8110	0.000	1	111.8110	0.000	1	111.4630	1.264	3	110.7080	2.617	8	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.2060	0.000	1	110.2060	0.000	1	111.4630	1.264	3	110.7080	2.617	8	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	3:4:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	112.3720	0.000	1	112.3720	0.000	1	111.4630	1.264	3	110.7080	2.617	8	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:2:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[6a]-2:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<2>,3|H<1>,4|C<3>}	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:2:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.8790	0.000	1	109.7480	0.380	4	109.7480	0.380	4	109.7480	0.380	4	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:2:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	110.0377	0.258	3	109.7480	0.380	4	109.7480	0.380	4	109.7480	0.380	4	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	109.8477	1.126	4	109.8477	1.269	4	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	109.1075	0.626	2	108.5490	1.224	4	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	107.9905	1.426	2	108.5490	1.224	4	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	107.5650	0.000	1	109.8160	10.134	2	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){4|C<3>,4|H<1>}	112.0670	0.000	1	109.8160	10.134	2	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	108.3930	1.383	2	108.3930	1.913	2	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]O){2|H<1>,3|C<3>}	108.0710	0.000	1	108.0710	0.000	1	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	107.9660	1.261	2	107.9660	1.591	2	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.5390	0.000	1	109.5710	0.002	2	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(O[5]N[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5]){1|N<3>,2|H<1>,5|C<3>}	109.6030	0.000	1	109.5710	0.002	2	109.0088	1.908	17	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(S[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(S[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	109.0982	1.940	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5,6])(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,7|H<1>}	109.5460	0.000	1	109.5460	0.000	1	109.5460	0.000	1	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	107.4610	0.000	1	107.4610	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	117.7100	0.000	1	114.7245	17.826	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	111.7390	0.000	1	114.7245	17.826	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)2{1|H<1>,7|C<3>}	108.1070	0.509	2	108.1070	0.259	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	110.8740	0.000	1	110.8740	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)2{1|H<1>,7|C<3>}	110.8597	0.434	3	110.8597	0.189	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	108.4850	0.000	1	108.4850	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	109.4745	1.006	4	109.4745	1.013	4	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){2|C<3>,2|C<4>,2|H<1>}	110.5180	0.636	2	110.5180	0.405	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.9480	0.000	1	109.9480	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	110.3400	0.000	1	110.3400	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	108.1860	0.000	1	108.1860	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.0370	0.000	1	109.0420	2.020	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	110.0470	0.000	1	109.0420	2.020	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	112.2050	0.000	1	112.2050	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.0990	0.000	2	109.9776	1.190	5	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	110.4320	0.000	1	109.9776	1.190	5	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	110.6290	1.469	2	109.9776	1.190	5	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]ReC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]ReC){2|H<1>,3|C<3>}	110.0150	0.000	1	110.0150	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O[5](C[5]C[6a]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	111.1395	1.092	2	110.3620	1.195	14	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)2{2|C<4>,2|H<1>,4|C<3>}	110.0125	0.965	2	110.3620	1.195	14	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	107.9110	0.000	1	110.3620	1.195	14	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)2{3|H<1>,5|C<3>}	109.9160	0.380	2	110.3620	1.195	14	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)2{1|H<1>,7|C<3>}	110.9434	0.680	5	110.3620	1.195	14	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)2{2|H<1>,6|C<3>}	110.1520	1.335	2	110.3620	1.195	14	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	110.6195	0.458	4	109.8496	1.411	22	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	109.7006	1.308	16	109.8496	1.411	22	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.9390	0.000	1	109.8496	1.411	22	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|H<1>,1|N<3>,4|C<3>}	109.0640	0.000	1	109.8496	1.411	22	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	110.4080	0.000	1	110.4080	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.7770	0.000	1	109.8640	0.015	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.9510	0.000	1	109.8640	0.015	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]F){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.1100	0.000	2	110.1100	0.000	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.8455	1.314	4	108.8455	1.728	4	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	107.2020	0.000	1	107.2020	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]2H){1|C<4>,3|C<3>,5|H<1>}	110.6890	0.000	1	110.6890	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	108.9800	1.426	2	109.5040	1.840	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.5520	0.000	1	109.5040	1.840	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	110.0790	0.000	1	110.1475	0.009	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HO){1|C<4>,2|C<3>,3|H<1>}	110.2160	0.000	1	110.1475	0.009	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)2{2|H<1>,5|C<3>}	110.9740	0.000	1	110.1927	0.519	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]H)2{3|H<1>,5|C<3>}	109.8020	0.351	2	110.1927	0.519	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.2253	0.260	3	109.2253	0.068	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.6510	0.000	1	109.8410	0.141	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.9360	0.478	2	109.8410	0.141	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.3640	0.000	1	110.3640	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.0980	0.000	1	110.0980	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	110.2520	0.000	1	110.2520	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.5640	0.000	1	111.1950	0.348	11	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	111.1213	0.393	7	111.1950	0.348	11	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	112.3810	0.000	1	111.1950	0.348	11	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.1755	0.842	2	111.1950	0.348	11	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	108.3860	0.000	1	108.3860	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	108.7325	1.385	2	108.7325	1.919	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	111.2190	0.000	1	109.5623	2.060	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	108.7340	0.048	2	109.5623	2.060	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|S<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]HH){1|S<3>,2|C<3>,3|H<1>}	109.5270	0.000	1	109.5270	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	109.1810	2.615	2	110.3423	7.465	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|S<4>,6|C<3>}	112.6650	0.000	1	110.3423	7.465	3	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	109.8953	1.019	4	110.1003	0.652	7	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>,2|C<4>}	110.1640	0.000	1	110.1003	0.652	7	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.4785	0.582	2	110.1003	0.652	7	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<4>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	110.5030	0.023	2	110.5030	0.001	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H){1|H<1>,2|C<4>,4|C<3>}	110.3916	1.122	10	110.3916	1.259	10	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[5a]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,2|H<1>,4|C<3>}	111.0850	0.000	1	111.0850	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){1|S<4>,2|C<3>,2|H<1>}	110.1860	0.000	1	111.1885	2.010	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	112.1910	0.000	1	111.1885	2.010	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	112.0400	0.188	2	112.0400	0.035	2	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|C<2>,2|O<2>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	111.1370	0.766	4	111.1370	0.587	4	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	109.5580	0.000	1	109.5580	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|C<2>,3|O<2>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	112.4290	0.000	1	110.9838	0.929	6	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	110.7193	0.295	3	110.9838	0.929	6	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,5|C<3>}	110.6580	1.400	2	110.9838	0.929	6	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.2370	0.000	1	109.2370	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CN)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){1|C<4>,1|N<3>,4|C<3>}	107.4030	0.000	1	107.4030	0.000	1	110.1560	1.871	150	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	110.0270	0.391	6	110.0270	0.153	6	109.9074	0.276	12	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO){1|H<1>,2|C<3>,2|C<4>}	109.5744	0.429	5	109.5744	0.184	5	109.9074	0.276	12	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(P[5]N[5]NO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(P[5]N[5]NO){1|H<1>,2|C<3>,2|C<4>}	110.8550	0.000	1	110.8550	0.000	1	109.9074	0.276	12	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(Si[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]H)(Si[5]C[5]CC){1|H<1>,2|C<4>,3|C<3>}	109.5910	0.000	1	109.5910	0.000	1	109.9270	0.226	2	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(Si[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]Si[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(Si[5]C[5]CC){1|C<4>,2|H<1>,3|C<3>}	110.2630	0.000	1	110.2630	0.000	1	109.9270	0.226	2	110.1314	1.706	167	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:1:	4:3:3:	4:5:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-5:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(P[5]O[5]O3)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]P[5])(H){2|C<3>,2|H<1>,3|O<2>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(P[5]O[5]O3){1|C<4>,3|C<3>}	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	3:3:4:	4:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.4532	1.328	6	110.4532	1.763	6	111.1205	2.524	14	111.1205	2.524	14	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	3:3:4:	4:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	111.9402	1.190	6	111.6210	2.759	8	111.1205	2.524	14	111.1205	2.524	14	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	3:3:4:	4:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C)	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]O[5]2C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	110.6635	3.129	2	111.6210	2.759	8	111.1205	2.524	14	111.1205	2.524	14	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O[5](C[5]C[6a]C[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	106.6445	0.282	2	106.6445	0.080	2	106.6445	0.080	2	106.6445	0.080	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|F<1>,2|C<3>,3|H<1>}	111.2600	0.000	1	111.2600	0.000	1	109.3007	3.365	3	109.0257	2.076	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	109.0180	0.000	1	109.0180	0.000	1	109.3007	3.365	3	109.0257	2.076	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|I<1>,2|C<3>,3|H<1>}	107.6240	0.000	1	107.6240	0.000	1	109.3007	3.365	3	109.0257	2.076	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|Br<1>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.7550	0.000	1	110.7550	0.000	1	108.8195	1.777	4	109.0257	2.076	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H)	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(OSi){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.1890	0.000	1	108.1890	0.000	1	108.8195	1.777	4	109.0257	2.076	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	108.5760	0.000	1	108.5760	0.000	1	108.8195	1.777	4	109.0257	2.076	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(O[5]C[5])(OSi){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH){1|P<4>,2|C<3>,3|H<1>}	107.7580	0.000	1	107.7580	0.000	1	108.8195	1.777	4	109.0257	2.076	7	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:3:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(O[5]C[5,5])(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O[5](C[5,5]C[5]N[5]2)(C[5]C[6a]C[5]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	109.2135	0.624	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:3:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(O[5]C[5])(COO){3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|C<2>,2|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){2|C<2>,4|C<3>}	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.2135	0.624	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	109.5290	0.000	1	109.5290	0.000	1	109.9745	0.397	2	109.6557	0.503	3	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.4200	0.000	1	110.4200	0.000	1	109.9745	0.397	2	109.6557	0.503	3	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:2:4:	4:3:3:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(P[5]N[5]OO)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|P<4>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(P[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	109.0180	0.000	1	109.0180	0.000	1	109.0180	0.000	1	109.6557	0.503	3	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:3:2:	3:4:3:	4:4:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,6|C<3>}	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O){2|H<1>,8|C<3>}	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:3:2:	4:3:3:	4:4:	C[6a]-3:C[5,6]-4:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,5|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O){2|H<1>,8|C<3>}	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	109.1530	0.000	1	109.8950	0.841	3	110.0093	0.613	4	110.1816	0.608	5	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	110.2660	0.925	2	109.8950	0.841	3	110.0093	0.613	4	110.1816	0.608	5	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	110.3520	0.000	1	110.3520	0.000	1	110.0093	0.613	4	110.1816	0.608	5	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	3:4:4:2:	4:3:3:	4:4:	C[6a]-3:C[5]-4:C[6]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])	C[6a](C[5]C[5]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C[6])(C[5]O[5]CC)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5]){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5]C[6]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O[5](C[5]C[6a]C[5]C[6])(C[5]O[5]CC){1|C<4>,3|C<3>,3|H<1>}	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.1816	0.608	5	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:2:3:1:	4:3:3:	4:4:	C[5]-4:O[5]-2:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(O[5]C[5,5,6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	110.7420	0.643	2	110.7420	0.414	2	110.7420	0.414	2	110.7420	0.414	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	3:4:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](N[5,5]C[5,5]O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]N[5,5])(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](N[5,5]C[5,5]O[5])(C[5]C[6a]C[5]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	107.4840	0.000	1	107.4840	0.000	1	107.4840	0.000	1	108.2560	1.192	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	3:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](N[5,6]C[5,6]O[6])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(O[5]N[5,6])(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O[5](N[5,6]C[5,6]O[6])(C[5]C[6a]C[5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	108.2560	1.192	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C[6a]){1|C<4>,1|H<1>,6|C<3>}	109.0740	0.000	1	109.0740	0.000	1	109.2727	2.349	3	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	107.8490	0.000	1	109.3720	4.639	2	109.2727	2.349	3	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	O[5](C[5]C[5,5]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	110.8950	0.000	1	109.3720	4.639	2	109.2727	2.349	3	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	109.1540	0.000	1	109.2175	0.008	2	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	109.2810	0.000	1	109.2175	0.008	2	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,4|C<3>,4|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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<4>,1|H<1>,6|C<3>}	108.8550	0.000	1	108.8550	0.000	1	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	110.3410	0.000	1	110.2867	0.593	3	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	109.4910	0.000	1	110.2867	0.593	3	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	111.0280	0.000	1	110.2867	0.593	3	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	109.2930	0.228	2	108.9968	0.345	4	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a]){1|C<4>,1|H<1>,6|C<3>}	108.7005	0.795	2	108.9968	0.345	4	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|H<1>,3|C<3>}	108.4520	1.110	2	108.4520	1.232	2	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	109.3960	0.000	1	109.5740	0.063	2	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,6]C[6a]H)(N[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	109.7520	0.000	1	109.5740	0.063	2	109.2992	0.663	14	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[4,5]-3:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[4,5]C[4,5]2)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]N[4,5])(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[4,5]C[4,5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	110.4890	0.000	1	110.4890	0.000	1	110.4890	0.000	1	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5,6]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(N[5,6]C[5,6]2)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(N[5,6]C[5,6]2){2|C<3>,3|H<1>,4|C<4>}	111.8540	0.407	2	111.8540	0.166	2	111.8540	0.166	2	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:3:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(S[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,1|S<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(S[5]O[5]O){1|H<1>,3|C<3>}	109.9080	1.089	2	109.9080	1.186	2	109.9080	1.186	2	109.6373	1.303	22	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H)	C[5](C[4,5]C[4,5,6]C[4]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[4,5,6]C[6]H)(C[5]C[4,5]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.0540	0.000	1	111.0540	0.000	1	111.5210	0.436	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH)	C[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[5]C[4,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]HH){2|C<3>,2|C<4>,2|H<1>}	111.9880	0.000	1	111.9880	0.000	1	111.5210	0.436	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H)	C[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5,5,6]C[6a]H){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,6|C<4>}	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H)	C[5](C[5,5]C[3x5]C[5]C)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]H){1|C<4>,1|N<3>,6|C<3>}	110.0640	0.000	1	110.0640	0.000	1	110.6095	0.595	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H)	C[5](C[5,5]C[3x5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,1|S<4>,6|C<3>}	111.1550	0.000	1	111.1550	0.000	1	110.6095	0.595	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5,6]HH)	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5,6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.3865	0.504	2	110.3865	0.254	2	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	109.1330	0.588	2	109.1330	0.346	2	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	110.3875	1.189	2	110.4140	0.409	7	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	110.5643	0.464	4	110.4140	0.409	7	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,7|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	109.8660	0.000	1	110.4140	0.409	7	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	111.0330	0.000	1	111.0330	0.000	1	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	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[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	110.7140	2.113	2	110.7140	4.464	2	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	109.8150	0.000	1	109.8150	0.000	1	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){2|H<1>,4|C<3>}	109.0590	0.000	1	109.0590	0.000	1	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	109.7820	0.000	1	109.7820	0.000	1	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	111.4240	0.000	2	110.6664	1.610	24	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	110.1820	0.000	1	110.6664	1.610	24	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	111.7970	0.000	1	110.6664	1.610	24	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	110.6603	1.295	19	110.6664	1.610	24	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH){2|C<3>,2|C<4>,2|H<1>}	108.6210	0.000	1	110.6664	1.610	24	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	110.2530	0.000	1	110.3040	0.008	3	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	110.3295	0.111	2	110.3040	0.008	3	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.8420	0.000	1	108.8420	0.000	1	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	110.9400	0.000	1	110.9400	0.000	1	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	111.6850	0.000	1	111.6850	0.000	1	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,4|C<3>}	111.6370	0.000	1	111.6370	0.000	1	110.4805	1.239	48	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H)	C[5](C[5,6]O[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[6a]H){1|H<1>,5|C<3>}	109.4990	0.610	10	109.4990	0.372	10	109.4990	0.372	10	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,5,6]HH)	C[5](C[5,6]C[5,5,6]C[6,6a]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.3580	0.000	1	109.3580	0.000	1	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H){1|H<1>,7|C<3>}	109.9260	0.000	1	109.9260	0.000	1	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	109.8380	0.000	1	109.8380	0.000	1	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	111.4380	0.000	1	111.3635	0.011	2	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH){1|H<1>,2|C<3>,3|C<4>}	111.2890	0.000	1	111.3635	0.011	2	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){5|C<3>,5|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)2{2|H<1>,6|C<3>}	110.7735	0.200	2	110.7735	0.040	2	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]O[6]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC){2|C<3>,2|H<1>,2|O<2>}	110.2320	0.000	1	110.2320	0.000	1	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|Cl<1>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	109.6300	0.000	1	109.6300	0.000	1	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CC){1|H<1>,5|C<3>}	109.8820	0.000	1	109.8820	0.000	1	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]H)2{2|H<1>,6|C<3>}	109.5800	0.587	2	109.5800	0.344	2	110.1917	0.534	12	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](B[5,5]N[5]O[5]2)(C[5]C[6a]C[5]H){1|H<1>,3|C<3>,4|C<4>}	112.3530	0.634	2	112.3530	0.401	2	111.9227	0.503	10	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(O[5]B[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|N<4>,4|H<1>}	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	111.8151	0.723	8	111.8151	0.523	8	111.9227	0.503	10	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[3,5])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H){4|C<3>,6|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[4,5]HO)(C[6a]C[6a]2)(O[5]C[4,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	112.2728	1.788	5	112.2728	3.195	5	112.2728	3.195	5	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,2|H<1>,4|C<3>}	111.0670	0.000	1	111.0670	0.000	1	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,8|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	108.5512	1.502	9	108.5512	2.256	9	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	110.0820	0.000	1	110.0820	0.000	1	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.1470	0.000	1	110.1470	0.000	1	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	108.1930	0.000	1	108.1930	0.000	1	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	109.2473	0.543	3	109.2473	0.294	3	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	109.1640	0.000	1	109.1640	0.000	1	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	110.4580	0.000	1	110.0165	2.082	11	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	110.3530	0.000	1	110.0165	2.082	11	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|N<3>,3|C<3>,3|H<1>}	106.9260	0.000	1	110.0165	2.082	11	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	110.3056	1.213	8	110.0165	2.082	11	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,5|H<1>}	110.8278	0.872	4	110.8278	0.760	4	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	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[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	108.8890	0.515	2	109.9933	3.791	3	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]N[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	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[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	112.2020	0.000	1	109.9933	3.791	3	109.6237	2.142	35	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	109.6185	0.957	2	109.6185	0.915	2	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	108.3150	0.000	1	109.5150	2.880	2	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	110.7150	0.000	1	109.5150	2.880	2	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<4>,2|H<1>,3|C<3>}	108.9820	0.000	1	108.9820	0.000	1	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){2|C<3>,2|H<1>,3|C<4>}	109.7870	0.000	1	109.7870	0.000	1	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]C[5]H){1|C<4>,3|C<3>,3|H<1>}	111.0675	0.279	2	111.0675	0.078	2	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]C[5,6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H){1|C<4>,3|H<1>,4|C<3>}	109.4320	0.000	1	109.4320	0.000	1	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,5|H<1>}	110.2782	1.207	4	110.8049	3.047	8	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|C<3>,3|C<4>,4|H<1>}	112.7050	2.273	2	110.8049	3.047	8	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5,6])(H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	109.9580	1.424	2	110.8049	3.047	8	110.2966	2.083	17	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	109.8330	0.000	1	109.8330	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH){2|H<1>,4|C<3>}	110.5810	0.000	1	110.5810	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)	C[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH){1|H<1>,5|C<3>}	109.5970	0.000	1	109.5970	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	109.7670	0.000	1	109.7670	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(O[5]C[5])(H){1|B<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]B[5,5]C[5]H)(C[5]C[6a]C[5]H){1|Br<1>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	112.3450	1.561	2	112.3450	2.438	2	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]ClS)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	111.1150	0.000	1	111.1150	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	108.4390	0.000	1	108.4390	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	108.6580	0.000	1	108.6580	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|Br<1>,2|C<4>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){2|H<1>,4|C<3>}	112.4135	0.189	2	112.4135	0.036	2	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)2	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]H)2{2|H<1>,6|C<3>}	110.2095	0.592	14	110.2095	0.350	14	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	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[5](C[5]C[6a]C[5]H)(C[5]N[5]HH){1|C<4>,1|H<1>,3|C<3>}	110.4290	0.000	1	110.4290	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H){6|C<3>}	109.9300	0.048	2	109.9300	0.002	2	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH){1|C<4>,3|C<3>}	111.3440	0.000	1	111.3440	0.000	1	110.4163	1.190	29	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO){1|C<4>,1|H<1>,3|C<3>}	110.8617	0.678	3	110.8617	0.460	3	110.9489	0.894	7	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2	O[5](C[5]C[6a]C[5]H)(P[5]O[5]CW)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|C<4>,1|W<6>,2|F<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]F)2{1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|F<1>}	O[5](C[5]C[6a]C[5]H)(P[5]O[5]CW){1|H<1>,3|C<3>}	112.0190	0.243	2	112.0190	0.059	2	110.9489	0.894	7	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(P[5]C[6a]O[5]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(P[5]C[6a]O[5]O){1|H<1>,5|C<3>}	110.0095	0.552	2	110.0095	0.305	2	110.9489	0.894	7	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO){2|H<1>,3|C<3>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(Si[5]N[5]CC)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]Si[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]H)(Si[5]N[5]CC){1|H<1>,4|C<3>}	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,4|H<1>}	111.5585	0.086	2	111.5585	0.007	2	111.5585	0.007	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,6|C<3>}	110.3830	0.000	1	110.3830	0.000	1	111.6040	2.982	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	N[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5]Pd)(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]N[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H){1|Pd<4>,1|C<2>,1|H<1>,2|C<4>,5|C<3>}	112.8250	0.000	1	112.8250	0.000	1	111.6040	2.982	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5]NiC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,2|C<3>,4|C<4>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	107.4375	0.177	2	107.4375	0.032	2	110.1268	6.376	5	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|C<3>,4|C<4>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	112.5440	0.000	1	112.5440	0.000	1	110.1268	6.376	5	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	N[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5]C[5]ZnC)(C[6a]C[6a]2)(O[5]C[5])(H){1|O<3>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|C<3>,4|C<4>}	O[5](C[5]C[6a]N[5]H)(C[5]C[5]HH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	111.6075	0.883	2	111.6075	0.780	2	110.1268	6.376	5	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H){1|C<4>,1|H<1>,8|C<3>}	113.2250	0.000	1	113.3805	0.048	2	113.3805	0.048	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]B[5])(H){2|H<1>,9|C<3>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	O[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]H){9|C<3>}	113.5360	0.000	1	113.3805	0.048	2	113.3805	0.048	2	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5](P[5]C[5,5]ClCr)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|Cl<1>,1|Cr<6>,3|C<3>,3|C<4>}	110.2620	0.000	1	110.2620	0.000	1	110.8700	0.405	3	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5](P[5]C[5,5]ClMo)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|Cl<1>,1|Mo<6>,3|C<3>,3|C<4>}	110.8170	0.000	1	110.8170	0.000	1	110.8700	0.405	3	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	4:4:	P[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5](P[5]C[5,5]FW)(C[6a]C[6a]2)(O[5]C[5,5])(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]O[5]P[5]H)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|F<1>,1|W<6>,3|C<3>,3|C<4>}	111.5310	0.000	1	111.5310	0.000	1	110.8700	0.405	3	110.4323	1.894	198	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:1:	4:3:3:	5:4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	Si[4,5]-5:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H)	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2	O[5](Si[4,5]N[4]2O[5]N)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]Si[4,5])(H){2|H<1>,3|N<3>,4|C<3>}	C[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|C<3>,3|H<1>}	O[5](Si[4,5]N[4]2O[5]N)(C[5]C[6a]C[5]H){1|H<1>,2|C<4>,4|C<3>}	112.1065	1.220	2	112.1065	1.488	2	112.1065	1.488	2	112.1065	1.488	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[3,5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[3,5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO)	C[5](C[3,5]C[3,5]C[6a]O[3])(C[6a]C[6a]2)(O[5]C[5])(OH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[3,5]O[5]O)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO){1|O<2>,4|C<3>}	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC)	C[6a](C[5]C[5,5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]O)	C[5](C[5,5]C[5,6a]C[3x5]H)(C[6a]C[6a]2)(O[5]C[5,5])(OC){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]O[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5,5]C[5,6a]C[3x5]O)(C[5]C[5,5]C[6a]O){1|C<4>,1|H<1>,6|C<3>}	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,6,6]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH)	C[6a](C[5]C[5,6,6]O[5]O)(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5,6,6]C[5]C)(C[5]C[5,6,6]C[6a]O)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)(O[5]C[5,5])(OH){2|C<3>,4|H<1>,5|C<4>}	C[6a](C[5]C[5,6,6]O[5]O)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5,6,6]C[5]C)(C[5]C[5,6,6]C[6a]O){2|C<3>,2|F<1>,2|H<1>,3|C<4>}	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[5,6]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(OH){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]O[5]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a]O){2|H<1>,8|C<3>}	104.1400	0.000	1	104.1400	0.000	1	104.1400	0.000	1	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:O-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH)	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)	C[5](C[5]C[5]Br2)(C[6a]C[6a]2)(O[5]C[5])(OH){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]O)(C[6a]C[6a]H)2{2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]O)(C[5]C[5]HH){2|Br<1>,2|C<3>,2|H<1>}	109.2560	0.264	2	109.2560	0.070	2	109.2560	0.070	2	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2{3|H<1>,4|C<3>,5|C<4>}	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]O[5]){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	111.1730	0.495	2	111.1730	0.245	2	110.4090	0.947	4	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O[5])	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5,6])2{3|H<1>,4|C<3>,5|C<4>}	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]O[5]){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	109.6450	0.512	2	109.6450	0.262	2	110.4090	0.947	4	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]C[5]2Fe)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|C<4>,8|H<1>}	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{1|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	110.1628	0.714	6	110.1628	0.510	6	110.4070	0.571	8	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)	C[5](C[5]C[6a]O[5]2)(C[6a]C[6a]2)(O[5]C[5])2{2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH){2|H<1>,2|O<2>,3|C<3>}	111.1395	0.118	2	111.1395	0.014	2	110.4070	0.571	8	109.5397	3.097	18	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:4:	C[4,5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[4,5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C)	C[5](C[4,5]C[4]2C[5])(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[4,5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,5|C<3>}	108.9250	1.072	2	108.9250	1.149	2	108.9250	1.149	2	108.8196	0.711	10	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5,6]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]C[6a]H){1|H<1>,7|C<3>}	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	108.8196	0.711	10	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C)	C[5](C[5]C[4,5]HH)(C[6a]C[6a]2)(O[5]C[5])(COO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	O[5](C[5]C[4,5]C[6a]C)(C[5]C[6a]C[5]C){1|C<4>,2|H<1>,5|C<3>}	108.4115	0.477	2	108.4115	0.228	2	108.8076	0.868	7	108.8196	0.711	10	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	107.8050	0.000	1	107.8050	0.000	1	108.8076	0.868	7	108.8196	0.711	10	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){4|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){2|H<1>,6|C<3>}	110.3430	0.000	1	109.1950	2.636	2	108.8076	0.868	7	108.8196	0.711	10	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){5|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]H){3|H<1>,5|C<3>}	108.0470	0.000	1	109.1950	2.636	2	108.8076	0.868	7	108.8196	0.711	10	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:3:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(COO){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H){1|H<1>,5|C<3>}	109.3175	0.455	2	109.3175	0.207	2	108.8076	0.868	7	108.8196	0.711	10	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:4:	4:3:3:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|H<1>,3|C<3>}	108.9440	0.000	1	108.9440	0.000	1	108.9440	0.000	1	109.5430	0.718	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:2:4:	4:3:3:	4:4:	P[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:Si[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3)	C[6a](C[5]O[5]P[5]C)(C[6a]C[6a]H)2	O[5](C[5]C[6a]P[5]C)(Si[5]C[5]CC)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[5]O[5]P[5]C)(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]P[5]C)(Si[5]C[5]CC){5|C<3>}	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	109.5430	0.718	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:3:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-3:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(P[5]O[5]Cl)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Cl<1>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<3>,2|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(P[5]O[5]Cl){6|C<3>}	106.6365	1.141	4	106.6365	1.302	4	106.6365	1.302	4	106.6365	1.302	4	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5])	C[6a](C[5]C[5,5]C[6]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]2)(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6]O[5])(C[6a]C[6a]H)2{1|C<2>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[5,5]C[6a]C[6])(C[5]N[5,5]C[6a]H){1|Pd<4>,1|C<2>,1|H<1>,2|C<4>,5|C<3>}	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|B<4>,1|N<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2){1|B<4>,2|H<1>,4|C<3>,5|C<4>}	107.8755	1.149	2	108.5690	1.403	4	108.5690	1.403	4	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]B[5,5]){1|N<4>,1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<4>,3|C<3>,3|H<1>}	O[5](B[5,5]N[5,5]2O[5])(C[5]C[5,5]C[6a]2){1|B<4>,2|H<1>,4|C<3>,5|C<4>}	109.2625	0.982	2	108.5690	1.403	4	108.5690	1.403	4	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){1|Pd<4>,2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<4>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,6|C<3>}	108.0870	2.126	2	108.2332	1.050	6	108.2332	1.050	6	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]C[5]){2|C<4>,5|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]2)(C[5]N[5,5]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	108.3063	0.472	4	108.2332	1.050	6	108.2332	1.050	6	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]2)(P[5]N[5,5]CuN)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Cu<3>,1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]2)(P[5]N[5,5]CuN){1|H<1>,2|C<4>,4|C<3>}	107.8533	2.042	4	107.8533	4.170	4	107.1069	1.383	33	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]2)(P[5]N[5,5]NiO)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Ni<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]2)(P[5]N[5,5]NiO){1|H<1>,2|C<4>,4|C<3>}	106.9200	0.000	1	106.9200	0.000	1	107.1069	1.383	33	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]2)(P[5]N[5,5]PdC)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]2)(P[5]N[5,5]PdC){1|H<1>,2|C<4>,4|C<3>}	106.9362	0.859	10	106.9362	0.738	10	107.1069	1.383	33	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5,5]C[6a]2)(P[5]N[5,5]PdO)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	O[5](C[5]C[5,5]C[6a]2)(P[5]N[5,5]PdO){1|H<1>,2|C<4>,4|C<3>}	107.0463	1.150	18	107.0463	1.323	18	107.1069	1.383	33	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	O[5](P[5]N[5,5]C[6a]Pd)(C[5]C[5,5]C[6a]2)	C[5](C[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)2(O[5]P[5]){1|Pd<4>,2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|P<4>,3|C<3>,3|H<1>}	O[5](P[5]N[5,5]C[6a]Pd)(C[5]C[5,5]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	107.2435	1.749	8	107.2435	3.060	8	107.2435	3.060	8	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5])	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5,6,6]C[5]O)(C[5]C[5,6,6]C[6a]2)	C[5](C[5,6,6]C[5,5,6,6]C[3x6]H)(C[6a]C[6a]2)2(O[5]C[5,5]){1|O<2>,4|C<3>,4|C<4>,6|H<1>}	C[6a](C[5]C[5,6,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5,6,6]C[5]O)(C[5]C[5,6,6]C[6a]2){1|F<1>,3|C<4>,3|H<1>,4|C<3>}	108.0495	0.121	2	108.0495	0.015	2	108.0495	0.015	2	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2(O[5]C[5,6]){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[6a](C[5]C[5,6]C[6a]O[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	108.7330	0.206	2	108.7330	0.043	2	108.7330	0.043	2	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]2C[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)2(O[5]C[5,6]){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]2C[5]){2|C<4>,4|H<1>,5|C<3>}	107.8398	2.616	4	107.8398	6.842	4	107.8398	6.842	4	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]RuC)	C[5](C[5]C[5]RuC)(C[6a]C[6a]2)2(O[5]C[5]){1|Ru<5>,1|Ru<7>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ru<7>,1|C<5>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]2C[5])(C[5]C[5]RuC){1|Ru<5>,1|Ru<7>,1|C<4>,4|C<3>}	108.1055	1.285	2	108.1055	1.651	2	108.1055	1.651	2	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(P[5]O[5]RhO)	C[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)2(O[5]P[5]){1|Rh<5>,1|O<2>,4|H<1>,8|C<3>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,2|H<1>,5|C<3>}	O[5](C[5]C[6a]2C[5])(P[5]O[5]RhO){6|C<3>}	106.7654	1.193	8	106.7654	1.423	8	106.7654	1.423	8	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	Ge[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5])	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2	O[5](Ge[5,5]N[5,5]O[5]Pd)(C[5]C[6a]2C[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)2(O[5]Ge[5,5]){1|Pd<4>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]C[5]O[5])(C[6a]C[6a]H)2{1|Ge<4>,1|N<4>,3|C<3>,4|H<1>}	O[5](Ge[5,5]N[5,5]O[5]Pd)(C[5]C[6a]2C[5]){2|H<1>,3|C<4>,4|C<3>}	109.2865	1.781	6	109.2865	3.172	6	109.2865	3.172	6	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	4:3:3:2:	4:3:3:	4:4:	C[5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[5]C[6a]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	107.5712	2.170	77	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	0:SP3_SP2_SP3	C[5]	C[6a]	O[5]	6:3:2:1:	4:3:3:	4:4:	C[5x3,6x5,20x6]-6:C[6a]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6a](C[5]C[5x3,6x5,20x6]O[5]H)(C[6a]C[6a]H)2	O[5](C[5]C[5x3,6x5,20x6]C[6a]H)2	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(O[5]C[5])(H){3|C<3>,5|B<6>,7|H<1>}	C[6a](C[5]C[5x3,6x5,20x6]O[5]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	O[5](C[5]C[5x3,6x5,20x6]C[6a]H)2{4|C<3>,6|B<6>}	109.9065	0.740	2	109.9065	0.548	2	109.9065	0.548	2	109.9065	0.548	2	110.0591	3.294	1005	110.0111	3.343	1331
474	643	976	6:SP3_SP2_SP3	C[5,5,6]	C[6,6a]	O[5,6]	3:2:4:4:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,5,6]C[5,6]C[5]2)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,5,6]C[5,6]C[5]2){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	108.5725	0.070	2	108.5725	0.070	2	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,5,6]	C[6,6a]	O[5,6]	3:2:4:4:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6,6]C[6,6]C[5]C[6])	C[5,5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5,5]C[5]2H)(C[5]C[5]HH){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	O[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6,6]C[6,6]C[5]C[6]){2|C<3>,4|C<4>,8|H<1>}	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	108.5725	0.070	2	108.5725	0.070	2	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:2:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|C<3>,4|H<1>}	110.6585	0.212	4	110.6585	0.045	4	110.4671	0.354	16	110.4671	0.354	16	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:2:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|C<3>,4|H<1>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){2|H<1>,3|C<3>}	110.9330	0.000	1	110.5766	0.101	11	110.4671	0.354	16	110.4671	0.354	16	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:2:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]C[6]H){1|H<1>,4|C<3>}	110.5410	0.311	10	110.5766	0.101	11	110.4671	0.354	16	110.4671	0.354	16	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:2:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C){1|O<1>,2|C<3>}	108.4960	0.000	1	108.4960	0.000	1	110.4671	0.354	16	110.4671	0.354	16	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:2:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:O-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC)	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(O[5]C[5])(OC){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[6,6a]O[5]O)(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,3|C<3>}	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:2:3:	3:4:3:	4:4:	C[6,6a]-3:O[5,6]-2:O[5]-2:N-3:	N[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H)	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]N)	C[5,6](C[6,6a]N[6,6a]C[6a])(O[5,6]C[5,5,6])(O[5]C[5,5])(NHH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]O[5]N){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	106.7210	0.000	1	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:3:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	107.3465	0.401	2	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:3:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){1|H<1>,1|S<4>,3|C<3>}	107.7940	0.000	1	107.7940	0.000	1	107.7940	0.000	1	107.3465	0.401	2	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:3:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H){4|C<3>,4|H<1>}	108.6370	0.000	1	108.9420	0.186	2	108.9420	0.186	2	108.9420	0.186	2	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:3:2:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[6a]-3:O[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5])	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5,6]C[5]C[6]H){4|C<3>,4|H<1>}	109.2470	0.000	1	108.9420	0.186	2	108.9420	0.186	2	108.9420	0.186	2	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:3:4:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C){2|Cl<1>,1|H<1>,5|C<3>}	106.1910	0.000	1	106.1910	0.000	1	106.1910	0.000	1	106.1910	0.000	1	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:4:1:	3:4:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[6,6]C[5]H){2|C<4>,2|H<1>,4|C<3>}	108.1030	0.000	1	108.1030	0.000	1	108.7525	0.844	2	108.7525	0.844	2	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:4:1:	3:4:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[3,6]C[5]C){2|C<4>,3|C<3>,3|H<1>}	109.4020	0.000	1	109.4020	0.000	1	108.7525	0.844	2	108.7525	0.844	2	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:4:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6,6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[6,6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	109.5990	1.048	6	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:4:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6,6])(C[5]C[5,6]HO)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[6,6a]C[5]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	109.5990	1.048	6	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:4:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){1|C<4>,3|C<3>,4|H<1>}	109.8820	0.000	1	109.8820	0.000	1	109.7670	0.533	4	109.5990	1.048	6	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:4:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	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[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	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[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H){3|C<3>,5|H<1>}	109.0240	0.000	1	109.0240	0.000	1	109.7670	0.533	4	109.5990	1.048	6	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:2:4:1:	4:3:3:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O)	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,2|O<2>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]O[6a]S[6])(C[6a]C[6a,6a]O){2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]S[6]C){1|O<2>,2|C<3>,3|H<1>}	110.0810	0.915	2	110.0810	0.837	2	109.7670	0.533	4	109.5990	1.048	6	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:3:2:1:	3:4:3:	4:4:	C[6,6a]-3:N[5,5a]-3:O[5,6]-2:H-1:	C[6,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,5a]O[5,6]H)(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]N[5,5a]H)2	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(N[5,5a]N[5,5a]C[5a])(O[5,6]C[5,6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,5a]O[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	O[5,6](C[5,6]C[6,6a]N[5,5a]H)2{5|C<3>}	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	110.3310	0.000	1	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:3:2:1:	4:3:3:	4:4:	C[5,6a]-3:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H)	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]2)(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	O[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]O[6]H){4|C<3>}	105.5100	0.399	2	105.5100	0.159	2	105.5100	0.159	2	105.8030	0.221	4	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){2|F<1>,3|C<3>}	105.8120	0.000	1	105.8120	0.000	1	106.0960	0.161	2	105.8030	0.221	4	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]O[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6]C[6,6a]N[5]H){1|H<1>,6|C<3>}	106.3800	0.000	1	106.3800	0.000	1	106.0960	0.161	2	105.8030	0.221	4	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	3:3:3:2:	4:3:3:	4:4:	C[5,6a]-3:C[6,6a]-3:C[6a]-3:O[5,6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6])	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[5a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(O[5,6]C[5,6]){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6a]O[5,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[5a]O[6]){2|N<2>,6|C<3>}	104.8900	0.000	1	104.8900	0.000	1	104.8900	0.000	1	104.8900	0.000	1	109.0626	3.443	38	109.0381	3.280	40
474	643	976	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	O[5,6]	4:3:2:1:	4:3:3:	4:4:	C[5,6]-4:C[6,6a]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H)	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,5,6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6]C[6,6a]C[5,6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.0626	3.443	38	109.0381	3.280	40