856	466	654	0:SP3_SP3_SP3	N[6]	C[6]	B[3,3]	4:4:4:	3:4:4:4:	5:2:2:3:	B[3,3]-4:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:C-4:C-4:	Si[3,3]-5:O[3]-2:O[3]-2:N[6]-3:	N[6](B[3,3]Si[3,3]O[3]2)(C[6]C[6]CC)2	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2	B[3,3](Si[3,3]O[3]2Si2)(O[3]Si[3,3])2(N[6]C[6]2)	N[6](B[3,3]Si[3,3]O[3]2)(C[6]C[6]CC)2{2|Si<4>,1|C<4>,4|H<1>}	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2{1|Si<5>,2|H<1>,2|O<2>,3|C<4>}	B[3,3](Si[3,3]O[3]2Si2)(O[3]Si[3,3])2(N[6]C[6]2){6|C<4>}	117.6625	0.035	2	117.6625	0.001	2	117.6625	0.001	2	117.6625	0.001	2	117.6625	0.001	2	117.6625	0.001	2
856	466	658	0:SP2_SP3_SP3	N[6,6]	C[6]	Si[6]	3:4:4:	3:4:1:1:	3:2:4:4:	C[3x6]-3:Si[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6](C[3x6]N[6,6]2)(Si[6]O[6]CC)(C[6]C[6]HH)	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2	Si[6](N[6,6]C[3x6]C[6])(O[6]C[6])(CH3)2	N[6,6](C[3x6]N[6,6]2)(Si[6]O[6]CC)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	Si[6](N[6,6]C[3x6]C[6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1
856	466	658	6:SP2_SP3_SP3	N[6]	C[6]	Si[6]	4:3:4:	3:4:3:1:	3:3:1:1:	Si[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:Cl-1:H-1:	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H)	Si[6](N[6]C[6a]C[6])2(Cl)(H)	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]2H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(Cl)(H){1|C<4>,2|H<1>,5|C<3>}	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	124.1930	0.831	3	124.1930	0.831	3
856	466	658	6:SP2_SP3_SP3	N[6]	C[6]	Si[6]	4:4:3:	3:3:2:1:	3:3:2:2:	Si[6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	N[6]-3:C[6a]-3:O[6]-2:O-2:	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H)	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a])	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H){1|H<1>,2|O<2>,5|C<3>}	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a]){1|C<2>,3|H<1>,6|C<3>}	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	124.1930	0.831	3	124.1930	0.831	3
856	466	658	6:SP2_SP3_SP3	N[6]	C[6]	Si[6]	4:4:3:	3:3:4:1:	3:3:2:2:	Si[6]-4:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:O[6]-2:O-2:	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a])	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	123.7540	0.000	1	123.7540	0.000	1	123.7540	0.000	1	123.7540	0.000	1	124.1930	0.831	3	124.1930	0.831	3
856	466	679	0:SP2_SP3_SP3	N[6]	C[6]	B[5a]	4:3:4:	3:4:1:1:	4:3:2:2:	B[5a]-4:C[5,6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	116.9630	0.000	1	116.9630	0.000	1	116.9630	0.000	1	116.9630	0.000	1	116.9630	0.000	1	116.9630	0.000	1
856	466	727	0:SP2_SP2_SP3	N[6,6]	C[6]	C[5a,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a])	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a]){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.5925	0.532	2	111.5925	0.284	2	111.5925	0.284	2	111.5925	0.284	2	111.5925	0.284	2	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:3:	3:3:2:2:	3:3:3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a,6]-3:N[6]-3:C-2:S-2:	C[5a]-3:N[5a]-3:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS){1|C<2>,1|C<3>,1|C<4>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|C<2>}	119.5630	0.000	1	119.5630	0.000	1	119.5630	0.000	1	119.5630	0.000	1	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:3:	3:3:3:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,6|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	120.2572	3.064	4	120.2572	9.387	4	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|C<2>,2|C<4>,5|H<1>}	121.8865	1.107	2	121.3282	0.957	4	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	120.7700	0.632	2	121.3282	0.957	4	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[6]C[6]2){1|N<2>,2|C<4>,4|H<1>}	119.1845	1.829	2	119.1845	3.346	2	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	119.2412	1.941	4	119.4893	2.730	6	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	119.9855	1.271	2	119.4893	2.730	6	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	117.7900	1.216	2	117.7900	1.479	2	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	121.7530	1.734	2	121.7530	3.006	2	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	121.9130	2.762	2	121.9130	7.628	2	120.2072	4.412	22	120.2072	4.412	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2)	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{2|C<3>,2|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	116.3640	1.759	4	116.3640	3.094	4	115.5317	3.528	6	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2)	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	113.8670	0.218	2	113.8670	0.047	2	115.5317	3.528	6	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(N[6]C[6]2){3|C<4>,5|H<1>}	119.1088	1.296	6	119.1088	1.681	6	119.1088	1.681	6	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	116.4845	1.044	2	116.4845	1.091	2	117.8022	8.583	12	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(N[6]C[6]2){1|N<3>,1|S<2>,2|C<4>,4|H<1>}	116.4718	1.407	4	116.4718	1.979	4	117.8022	8.583	12	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	118.3365	1.716	2	118.3365	2.945	2	117.8022	8.583	12	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	115.8180	1.689	2	115.8180	2.851	2	117.8022	8.583	12	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	123.2305	1.913	2	123.2305	3.659	2	117.8022	8.583	12	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	115.4785	2.053	2	115.4785	4.214	2	115.4785	4.214	2	117.4010	6.898	26	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6]-3:	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2)	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	112.3740	0.915	4	112.3740	0.838	4	112.3740	0.838	4	120.0833	16.159	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[6]-3:	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(N[6]C[6]2){2|C<4>,6|H<1>}	119.7220	1.141	2	119.7220	1.302	2	120.4207	1.146	4	120.0833	16.159	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[6]-3:	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|O<2>,1|S<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(N[6]C[6]2){3|C<4>,4|H<1>}	121.1195	0.426	2	121.1195	0.182	2	120.4207	1.146	4	120.0833	16.159	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(N[6]C[6]2){1|O<1>,2|C<4>,5|H<1>}	123.0795	0.281	2	123.0795	0.079	2	122.0419	0.885	10	120.0833	16.159	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2){3|C<4>,4|H<1>}	121.7825	0.862	8	121.7825	0.743	8	122.0419	0.885	10	120.0833	16.159	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a]N[5a,6]C[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[6]C[6]2)	N[6](C[5a]N[5a,6]C[5a])(C[6]C[6]HH)2{1|B<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,2|F<1>,5|H<1>}	124.1705	3.727	2	124.1705	13.892	2	124.1705	13.892	2	120.0833	16.159	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[5a]-3:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	120.9465	0.292	2	120.9465	0.085	2	120.9465	0.085	2	120.0833	16.159	22	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP2_SP2_SP3	N[6]	C[6]	C[5a]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C[5a]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[5a]-3:N[5a]-2:N[6]-3:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2){2|H<1>,6|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[6]C[6]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	119.0274	10.552	73	118.8292	11.724	75
856	466	727	0:SP3_SP2_SP3	N[6,6]	C[6]	C[5a,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[5a,6](C[5a,6]S[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,7|H<1>}	111.7260	0.762	2	111.7260	0.581	2	111.7260	0.581	2	111.6850	0.210	4	111.6850	0.210	4	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6,6]	C[6]	C[5a,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a])	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a]){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	111.6440	0.202	2	111.6440	0.041	2	111.6440	0.041	2	111.6850	0.210	4	111.6850	0.210	4	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[5a]-3:O[5a]-2:N[6]-3:	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:N[5a]-2:N[6]-3:	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(N[6]C[6]2){3|C<4>,4|H<1>}	119.9820	0.000	1	119.9820	0.000	1	120.6710	0.949	2	119.0475	3.274	12	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:N[5a]-2:N[6]-3:	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(N[6]C[6]2){3|C<4>,4|H<1>}	121.3600	0.000	1	121.3600	0.000	1	120.6710	0.949	2	119.0475	3.274	12	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	118.9175	2.106	2	118.9175	4.437	2	118.7228	3.194	10	119.0475	3.274	12	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	119.3285	1.001	2	119.3285	1.001	2	118.7228	3.194	10	119.0475	3.274	12	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	118.1435	1.914	2	118.1435	3.664	2	118.7228	3.194	10	119.0475	3.274	12	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	120.4170	1.933	2	120.4170	3.737	2	118.7228	3.194	10	119.0475	3.274	12	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[6]-3:	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	116.8075	1.160	2	116.8075	1.346	2	118.7228	3.194	10	119.0475	3.274	12	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2)	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	116.3115	0.395	2	116.3115	0.156	2	116.4938	3.829	6	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])(N[6]C[6]2)	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	114.4870	0.461	2	116.5850	6.297	4	116.4938	3.829	6	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])(N[6]C[6]2)	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]S[5a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	118.6830	1.035	2	116.5850	6.297	4	116.4938	3.829	6	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(N[6]C[6]2){3|C<4>,5|H<1>}	118.2060	2.359	4	118.2060	5.564	4	118.1515	7.505	10	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	118.4975	1.846	2	119.3517	9.000	4	118.1515	7.505	10	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{2|N<2>,2|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	120.2060	4.547	2	119.3517	9.000	4	118.1515	7.505	10	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]O)(N[5a]S[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|N<2>,1|S<2>,2|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]O)(N[5a]S[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	115.6420	2.342	2	115.6420	5.485	2	118.1515	7.505	10	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:O[5a]-2:N[6]-3:	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	119.5435	1.935	2	118.7373	2.117	4	118.3872	1.925	8	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	117.9310	0.075	2	118.7373	2.117	4	118.3872	1.925	8	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	116.8385	0.486	2	116.8385	0.236	2	118.3872	1.925	8	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[6]-3:	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2)	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	119.2360	0.397	2	119.2360	0.158	2	118.3872	1.925	8	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[6]-3:	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2)	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	116.4245	1.182	2	116.4245	1.396	2	116.4245	1.396	2	117.6610	4.652	27	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[6]-3:	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2)	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(N[6]C[6]2){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	113.1155	0.941	2	113.1155	0.886	2	113.1155	0.886	2	115.8153	6.047	22	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[5a]-3:N[6]-3:	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(N[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	114.3328	2.369	4	114.3328	5.611	4	114.3328	5.611	4	115.8153	6.047	22	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2){2|C<4>,5|H<1>}	116.3975	1.327	8	116.3975	1.760	8	116.4385	3.485	12	115.8153	6.047	22	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	113.9985	0.545	2	113.9985	0.297	2	116.4385	3.485	12	115.8153	6.047	22	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(N[6]C[6]2){2|C<4>,5|H<1>}	119.0425	0.484	2	119.0425	0.235	2	116.4385	3.485	12	115.8153	6.047	22	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[5a]-3:N[6]-3:	N[6](C[5a]N[5a,6a]C[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(N[6]C[6]2)	N[6](C[5a]N[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(N[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	113.6505	0.035	2	113.6505	0.001	2	113.6505	0.001	2	115.8153	6.047	22	117.2333	6.182	62	116.8971	7.591	66
856	466	727	0:SP3_SP2_SP3	N[6]	C[6]	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[5a]-3:N[6]-3:	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[6]C[6]2)	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	119.9060	0.262	2	119.9060	0.068	2	119.9060	0.068	2	115.8153	6.047	22	117.2333	6.182	62	116.8971	7.591	66
856	466	727	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[5a,6]	3:4:3:	3:4:4:2:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH)	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]N[5a]H)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]N[5a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	114.6685	0.995	2	114.6685	0.990	2	114.6685	0.990	2	114.6685	0.990	2	110.5498	22.960	4	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[5a,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a])	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a]){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	106.4310	0.187	2	106.4310	0.035	2	106.4310	0.035	2	106.4310	0.035	2	110.5498	22.960	4	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:3:1:	3:3:2:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H)	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6]H)(N[5a]O[5a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H){2|C<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6]H)(N[5a]O[5a]){1|C<4>,1|N<3>,2|H<1>}	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	118.2090	0.000	1	114.8259	4.346	8	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,2|C<4>,4|H<1>}	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	114.8259	4.346	8	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:4:4:	3:3:3:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,3|C<4>,3|H<1>}	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	114.8259	4.346	8	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6,6]	C[5a,6]	4:3:1:	3:4:3:1:	3:3:2:	C[6,6]-4:C[5a,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	115.7910	0.000	1	115.1700	1.310	5	115.1700	1.310	5	115.1700	1.310	5	114.8259	4.346	8	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6,6]	C[5a,6]	4:3:1:	3:4:3:1:	3:3:2:	C[6,6]-4:C[5a,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	115.0147	1.259	4	115.1700	1.310	5	115.1700	1.310	5	115.1700	1.310	5	114.8259	4.346	8	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:2:4:4:	3:2:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:N[6]-2:C-4:C-4:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]CC)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]CC)(H){1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<2>,2|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	117.7495	0.308	2	117.7495	0.095	2	117.7495	0.095	2	117.7495	0.095	2	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:2:4:4:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:N[6]-2:C-4:C-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)(H){1|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	119.2315	0.951	2	119.2315	0.905	2	119.3874	2.182	5	119.3874	2.182	5	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5500	0.000	1	120.6265	0.012	2	119.3874	2.182	5	119.3874	2.182	5	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	120.7030	0.000	1	120.6265	0.012	2	119.3874	2.182	5	119.3874	2.182	5	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){2|H<1>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	117.2210	0.000	1	117.2210	0.000	1	119.3874	2.182	5	119.3874	2.182	5	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:2:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	118.3980	0.000	1	118.3980	0.000	1	118.3980	0.000	1	118.3980	0.000	1	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,4|H<1>}	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|N<2>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	115.8320	0.000	2	115.8320	0.000	2	116.8623	3.185	3	116.8623	3.185	3	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	118.9230	0.000	1	118.9230	0.000	1	116.8623	3.185	3	116.8623	3.185	3	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2{1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	115.4230	0.000	1	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:2:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	106.7020	0.301	4	106.7020	0.091	4	106.7020	0.091	4	106.7020	0.091	4	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:S-4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,5|C<3>}	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S){2|H<1>,5|C<3>}	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	109.9570	0.000	1	109.9570	0.000	1	109.9570	0.000	1	110.7193	2.504	4	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]S[5a]C[5])(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]S[5a]C[5])(N[6]C[6]C){1|Fe<10>,2|H<1>,5|C<4>}	112.5570	0.000	1	112.5570	0.000	1	112.5570	0.000	1	110.7193	2.504	4	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C)	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	110.7193	2.504	4	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S){2|C<4>,3|C<3>,3|H<1>}	111.4010	0.000	1	111.4010	0.000	1	111.4010	0.000	1	110.7193	2.504	4	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|Br<1>,1|C<4>,1|O<2>,5|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.7190	0.000	1	116.7190	0.000	1	116.7210	0.000	2	116.7210	0.000	2	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|O<2>,5|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	116.7230	0.000	1	116.7230	0.000	1	116.7210	0.000	2	116.7210	0.000	2	114.3113	22.307	28	114.0381	19.418	40
856	466	727	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[5a,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	C[5a,6](C[5a,6]S[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{4|C<3>,4|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,7|H<1>}	108.6230	0.296	2	108.6230	0.087	2	108.6230	0.087	2	107.8120	2.017	3	107.8120	2.017	3	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[5a,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a])	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a]){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	106.1900	0.000	1	106.1900	0.000	1	106.1900	0.000	1	107.8120	2.017	3	107.8120	2.017	3	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:3:1:	3:3:2:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H)	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6]H)(N[5a]O[5a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H){2|C<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6]H)(N[5a]O[5a]){1|C<4>,1|N<3>,2|H<1>}	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.0630	0.000	1	112.3420	0.244	3	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,2|C<4>,4|H<1>}	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	112.3420	0.244	3	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6,6]	C[5a,6]	3:4:1:	4:3:4:4:	3:3:3:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,3|C<4>,3|H<1>}	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	112.3420	0.244	3	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:1:	3:2:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	111.5650	0.000	1	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:D-1:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(D)	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]D)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(D){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|N<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]D){1|C<4>,1|N<3>,4|H<1>}	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	114.4285	22.238	2	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	N[6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	C[6](N[6]C[5a,6]H)(C[6,6]C[6]3)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|C<4>,1|N<2>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	114.4285	22.238	2	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	114.0590	0.000	1	114.9075	1.440	2	115.5743	2.054	3	115.5743	2.054	3	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	115.7560	0.000	1	114.9075	1.440	2	115.5743	2.054	3	115.5743	2.054	3	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	116.9080	0.000	1	116.9080	0.000	1	115.5743	2.054	3	115.5743	2.054	3	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	114.6110	0.673	5	114.1872	1.441	6	115.0974	1.250	18	115.0974	1.250	18	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	112.0680	0.000	1	114.1872	1.441	6	115.0974	1.250	18	115.0974	1.250	18	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	114.1380	0.000	1	114.1380	0.000	1	115.0974	1.250	18	115.0974	1.250	18	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	114.4350	0.000	1	114.4350	0.000	1	115.0974	1.250	18	115.0974	1.250	18	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	115.4907	0.491	6	115.4907	0.241	6	115.0974	1.250	18	115.0974	1.250	18	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:1:	4:3:4:1:	3:3:3:	C[5a,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	116.2785	0.009	4	116.2785	0.000	4	115.0974	1.250	18	115.0974	1.250	18	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	109.3840	0.000	1	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:2:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	106.7007	0.524	3	106.7007	0.275	3	106.7007	0.275	3	106.7007	0.275	3	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	110.6633	0.833	3	110.6633	0.695	3	110.6633	0.695	3	110.8873	7.610	7	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	110.8873	7.610	7	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CH3)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|C<4>,4|H<1>}	116.7910	0.000	1	116.7910	0.000	1	116.7910	0.000	1	110.8873	7.610	7	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C)	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	110.8873	7.610	7	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:S-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(SC[6a]OO)	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S){1|C<4>,2|H<1>,3|C<3>}	108.8650	0.000	1	108.8650	0.000	1	108.8650	0.000	1	110.8873	7.610	7	113.3959	10.709	37	112.9328	11.374	43
856	466	727	6:SP3_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:4:	4:3:1:1:	3:3:3:	C[5a,6]-3:C[6]-4:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	112.6800	0.000	1	113.3959	10.709	37	112.9328	11.374	43
856	466	746	6:SP2_SP3_SPD5	N[6]	C[6]	P[6,6]	4:5:1:	3:3:3:1:	2:2:3:3:1:	C[6]-4:P[6,6]-5:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	126.8030	0.000	1	126.8030	0.000	1	126.8030	0.000	1	126.8030	0.000	1	126.8030	0.000	1	126.8030	0.000	1
856	466	746	6:SP3_SP3_SPD5	N[6,6]	C[6]	P[6,6]	5:4:4:	3:3:1:1:	3:2:2:2:2:	P[6,6]-5:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:O[6]-2:O[6]-2:O-2:O-2:	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2{4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2{3|C<3>,3|H<1>,4|O<2>}	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2{4|C<3>,4|H<1>}	124.0920	0.403	2	124.0920	0.162	2	124.0920	0.162	2	124.0920	0.162	2	124.0920	0.162	2	126.3583	15.490	3
856	466	746	6:SP3_SP3_SPD5	N[6]	C[6]	P[6,6]	4:5:1:	3:3:3:1:	2:2:3:3:1:	C[6]-4:P[6,6]-5:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	130.8910	0.000	1	130.8910	0.000	1	130.8910	0.000	1	130.8910	0.000	1	130.8910	0.000	1	126.3583	15.490	3
856	466	762	0:SP2_SP2_SP3	N[3x6]	C[3x6]	C[6]	4:4:3:	4:3:3:1:	3:3:3:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[5,6,6]-4:N[3x6]-3:C[6,6]-3:H-1:	N[3x6]-3:C[6]-3:C-3:	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H)	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO){2|C<3>,3|C<4>,3|H<1>}	126.3670	0.000	1	126.3670	0.000	1	126.3670	0.000	1	126.3670	0.000	1	126.3670	0.000	1	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6]	6:4:3:	3:4:1:1:	3:3:1:	Ga[6x6]-6:C[6,6]-4:C[6]-3:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6a]-3:N[3x6]-3:H-1:	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H)	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H)	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H){3|C<4>,6|C<3>}	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	117.8240	0.658	3	117.8240	0.433	3	117.8240	0.433	3	117.8078	0.231	6	117.8078	0.231	6	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6]	6:4:3:	3:4:1:1:	3:3:1:	In[6x6]-6:C[6,6]-4:C[6]-3:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6a]-3:N[3x6]-3:H-1:	N[3x6](In[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H)	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]In[6x6]C[6,6])(H)	N[3x6](In[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H){3|C<4>,6|C<3>}	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]In[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	117.7917	0.378	3	117.7917	0.143	3	117.7917	0.143	3	117.8078	0.231	6	117.8078	0.231	6	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	117.2090	0.000	1	117.2090	0.000	1	117.2090	0.000	1	117.2090	0.000	1	119.2665	3.236	6	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[3x6]C[3x6]C[6,6]C)(N[6,6]C[6,6]2)(O)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]C)(N[6,6]C[6,6]2)(O){1|C<3>,1|N<2>,1|N<3>,3|H<1>,4|C<4>}	118.2545	0.204	2	118.2545	0.042	2	118.2545	0.042	2	118.2545	0.042	2	119.2665	3.236	6	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	121.4735	0.060	2	121.4735	0.004	2	121.4735	0.004	2	121.4735	0.004	2	119.2665	3.236	6	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O){6|C<4>,6|H<1>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	119.2665	3.236	6	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.0640	0.535	9	118.0640	0.286	9	118.0640	0.286	9	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Pt<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.0670	0.000	1	114.0670	0.000	1	115.7672	0.830	8	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	115.8907	0.468	3	115.8907	0.219	3	115.7672	0.830	8	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.7020	0.006	2	116.7020	0.000	2	115.7672	0.830	8	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	115.4975	0.735	2	115.4975	0.540	2	115.7672	0.830	8	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:S-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.9230	0.000	1	118.9230	0.000	1	118.9230	0.000	1	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[6,6]-3:O-1:	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	123.1310	0.000	1	122.6975	0.376	2	122.6975	0.376	2	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[6,6]-3:O-1:	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	122.2640	0.000	1	122.6975	0.376	2	122.6975	0.376	2	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:O-1:	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])2(O)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])2(O){1|P<4>,4|C<4>,4|H<1>}	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	117.8399	5.292	21	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:2:1:	4:3:1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:O-2:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])2(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])2(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.0360	0.723	2	119.0360	0.522	2	119.0360	0.522	2	119.0360	0.522	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:N-2:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	115.5070	0.000	1	115.5070	0.000	1	115.5070	0.000	1	115.5070	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	114.4900	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:1:	C[3x6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(O[6]Si[6])(O)	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O){1|Si<4>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6](N[6,6]C[3x6]C[6])(O[6]Si[6])(O){2|H<1>,2|N<3>,3|C<4>}	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4735	1.039	2	120.4735	1.079	2	120.5789	1.108	9	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.7450	0.000	1	120.7450	0.000	1	120.5789	1.108	9	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5863	1.244	6	120.5863	1.548	6	120.5789	1.108	9	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O)	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	119.3395	0.158	2	119.3395	0.025	2	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.8592	1.079	20	119.8448	1.018	23	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.0170	0.000	1	119.8448	1.018	23	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.6145	0.363	2	119.8448	1.018	23	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.8599	0.575	30	118.8599	0.330	30	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.5167	0.195	3	119.8547	0.171	15	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.7883	0.378	7	119.8547	0.171	15	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.1506	0.402	5	119.8547	0.171	15	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	115.8440	0.000	1	115.8440	0.000	1	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.8280	0.000	1	117.8280	0.000	1	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<4>,3|H<1>}	117.1630	0.000	1	117.1630	0.000	1	119.3091	0.977	73	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	124.4070	0.000	1	122.0873	2.564	6	122.0873	2.564	6	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	123.5220	0.000	1	122.0873	2.564	6	122.0873	2.564	6	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	121.0315	0.962	2	122.0873	2.564	6	122.0873	2.564	6	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	121.2660	0.936	2	122.0873	2.564	6	122.0873	2.564	6	119.5923	1.750	89	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N-2:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH){1|C<4>,2|H<1>,3|C<3>}	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	122.4353	0.658	3	122.4353	0.433	3	122.4353	0.433	3	121.2557	3.619	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2){1|N<3>,2|C<3>,2|N<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2){1|C<4>,3|H<1>,4|C<3>}	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	121.2557	3.619	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.9360	0.000	1	117.9360	0.000	1	120.0420	8.870	2	121.2557	3.619	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N-3:	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	122.1480	0.000	1	122.1480	0.000	1	120.0420	8.870	2	121.2557	3.619	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	120.3555	2.383	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN)	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	120.3555	2.383	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|H<1>,5|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	122.2680	0.000	1	122.2680	0.000	1	122.2680	0.000	1	120.5925	5.615	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	120.5925	5.615	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:N-2:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	121.9860	0.038	2	121.9860	0.001	2	121.9860	0.001	2	122.6120	0.688	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.2380	0.703	2	123.2380	0.494	2	123.2380	0.494	2	122.6120	0.688	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:4:2:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:O-2:	N[6,6]-3:N[6]-2:H-1:	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:O-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	117.7330	0.000	1	118.7955	2.258	2	118.7955	2.258	2	118.7955	2.258	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:O-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.8580	0.000	1	118.7955	2.258	2	118.7955	2.258	2	118.7955	2.258	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:S-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S){1|C<3>,2|C<4>,3|H<1>}	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-2:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,2|C<4>,3|H<1>}	115.7855	0.936	2	115.7855	0.875	2	115.7855	0.875	2	115.7855	0.875	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6,6]-4:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[3,6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O){4|H<1>,6|C<4>}	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9050	0.395	2	120.9050	0.156	2	120.9050	0.156	2	120.9050	0.156	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	116.1430	0.000	1	116.1430	0.000	1	117.7205	4.977	2	117.7205	4.977	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	119.2980	0.000	1	119.2980	0.000	1	117.7205	4.977	2	117.7205	4.977	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	115.4380	0.000	1	115.4380	0.000	1	115.4380	0.000	1	115.4380	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|H<1>}	117.2780	0.320	2	117.2780	0.102	2	117.2780	0.102	2	117.2780	0.102	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O)	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	121.1460	0.123	2	121.1460	0.015	2	121.1460	0.015	2	121.1460	0.015	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	119.4550	0.000	1	119.4550	0.000	1	118.0860	3.127	4	118.0860	3.127	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	118.7290	0.000	1	117.6297	3.441	3	118.0860	3.127	4	118.0860	3.127	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	117.0800	2.251	2	117.6297	3.441	3	118.0860	3.127	4	118.0860	3.127	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	B[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H)	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	119.5291	1.112	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	120.8150	0.000	1	120.8150	0.000	1	120.8150	0.000	1	119.5291	1.112	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.0947	0.895	3	118.9610	0.451	6	119.1037	0.518	7	119.5291	1.112	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	118.8273	0.522	3	118.9610	0.451	6	119.1037	0.518	7	119.5291	1.112	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.9600	0.000	1	119.9600	0.000	1	119.1037	0.518	7	119.5291	1.112	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	B[5,6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2)	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,6|C<3>}	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	116.4240	66.125	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	116.4240	66.125	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[5,6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	118.2760	0.049	2	118.2760	0.002	2	118.2760	0.002	2	119.0597	0.440	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	120.2810	0.000	1	119.4303	0.435	4	119.2836	0.323	7	119.0597	0.440	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,4|C<4>,6|H<1>}	119.3720	0.190	2	119.4303	0.435	4	119.2836	0.323	7	119.0597	0.440	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,5|C<4>,5|H<1>}	118.6960	0.000	1	119.4303	0.435	4	119.2836	0.323	7	119.0597	0.440	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	119.3190	0.000	1	119.0880	0.214	3	119.2836	0.323	7	119.0597	0.440	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,2|O<2>,4|C<4>,4|H<1>}	118.9725	0.590	2	119.0880	0.214	3	119.2836	0.323	7	119.0597	0.440	9	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O){1|N<3>,4|C<4>,6|H<1>}	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	118.2170	0.000	1	118.2170	0.000	1	118.2170	0.000	1	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O){2|C<3>,5|C<4>,6|H<1>}	118.5820	0.000	1	118.5820	0.000	1	118.5820	0.000	1	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){4|C<4>,7|H<1>}	119.9130	0.000	1	119.9130	0.000	1	118.9461	0.861	8	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	119.5245	0.641	2	119.5245	0.411	2	118.9461	0.861	8	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	119.7400	0.000	1	119.7400	0.000	1	118.9461	0.861	8	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	118.9720	0.000	1	118.9720	0.000	1	118.9461	0.861	8	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|H<1>,4|C<4>}	118.5390	0.000	1	118.5390	0.000	1	118.9461	0.861	8	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){5|H<1>,6|C<4>}	117.6780	0.000	2	117.6780	0.000	2	118.9461	0.861	8	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	120.0730	0.000	1	120.0730	0.000	1	120.1783	1.429	3	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	120.2310	1.686	2	120.2310	2.842	2	120.1783	1.429	3	119.1927	1.075	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](C[6,6]C[6,6]C[6]S)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]S)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,5|H<1>}	117.0690	0.000	1	117.0690	0.000	1	117.2415	0.060	2	117.2415	0.060	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]N)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(N[6,6]C[6,6]C[6])(O){1|O<2>,4|H<1>,6|C<4>}	117.4140	0.000	1	117.4140	0.000	1	117.2415	0.060	2	117.2415	0.060	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:S[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	119.4667	0.601	3	119.4667	0.361	3	119.4667	0.361	3	119.4667	0.361	3	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:S[6]-2:S-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S){1|C<4>,3|C<3>,3|H<1>}	119.6580	0.000	1	119.6580	0.000	1	119.6580	0.000	1	117.3855	10.329	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	117.3855	10.329	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O){3|C<4>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,2|N<3>,5|H<1>}	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	119.7920	0.000	1	120.4630	0.783	4	120.4630	0.783	4	120.4076	0.602	5	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	120.6867	0.935	3	120.4630	0.783	4	120.4630	0.783	4	120.4076	0.602	5	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	120.1860	0.000	1	120.1860	0.000	1	120.1860	0.000	1	120.4076	0.602	5	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	115.3650	0.280	3	115.3650	0.078	3	115.3650	0.078	3	116.1518	2.528	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	118.5120	0.000	1	118.5120	0.000	1	118.5120	0.000	1	116.1518	2.528	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	114.8840	0.000	1	114.8840	0.000	1	115.1590	0.151	2	115.1590	0.151	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:3:1:	4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	115.4340	0.000	1	115.4340	0.000	1	115.1590	0.151	2	115.1590	0.151	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	116.5590	0.000	1	116.5590	0.000	1	116.5590	0.000	1	116.5590	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	116.8110	25.333	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,4|H<1>}	120.3700	0.000	1	120.3700	0.000	1	120.3700	0.000	1	116.8110	25.333	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,3|H<1>}	119.0005	0.456	2	119.0005	0.208	2	118.4235	1.050	4	118.4235	1.050	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.9490	0.000	1	117.8465	1.611	2	118.4235	1.050	4	118.4235	1.050	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){4|C<4>,4|H<1>}	118.7440	0.000	1	117.8465	1.611	2	118.4235	1.050	4	118.4235	1.050	4	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O)	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|S<4>,3|C<4>,7|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[4x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	118.1920	0.000	1	118.1920	0.000	1	118.1940	0.000	2	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[4x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]O[6]O)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[6,6]C[4x6]C[6])(C[6]O[6]O)(O){2|H<1>,4|C<4>}	118.1960	0.000	1	118.1960	0.000	1	118.1940	0.000	2	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	121.6630	0.690	2	121.8282	0.195	4	121.9242	0.193	5	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.9935	0.019	2	121.8282	0.195	4	121.9242	0.193	5	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	122.3080	0.000	1	122.3080	0.000	1	121.9242	0.193	5	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:S-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(S)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(S){1|O<1>,2|C<4>,4|H<1>}	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	119.4912	7.321	11	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	118.5040	0.000	1	118.5040	0.000	1	118.5040	0.000	1	118.5040	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	115.6910	0.000	1	115.6910	0.000	1	115.6910	0.000	1	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[4x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	118.0285	0.028	2	118.0285	0.001	2	118.0285	0.001	2	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6,6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	118.8670	0.000	1	118.8670	0.000	1	118.8670	0.000	1	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	117.0960	0.000	1	117.0960	0.000	1	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	117.7005	1.166	2	117.7005	1.360	2	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<4>,2|H<1>,3|C<3>}	118.6810	0.000	1	118.6810	0.000	1	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	118.7135	0.644	2	118.7135	0.415	2	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	119.3540	0.000	1	117.5000	2.637	3	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	116.3310	0.000	1	117.5000	2.637	3	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	116.8150	0.000	1	117.5000	2.637	3	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	118.4470	0.000	1	118.7045	0.133	2	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	118.9620	0.000	1	118.7045	0.133	2	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	119.0085	0.177	2	119.5973	0.552	4	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	120.5310	0.000	1	119.5973	0.552	4	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	119.8410	0.000	1	119.5973	0.552	4	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.1120	0.000	1	118.1120	0.000	1	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	120.2030	0.000	1	119.3340	0.514	4	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	118.6810	0.000	1	119.3340	0.514	4	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	119.2260	0.581	2	119.3340	0.514	4	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O){1|C<3>,2|C<4>,5|H<1>}	119.4550	0.304	2	119.4550	0.092	2	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	120.3900	0.000	1	120.0760	0.614	5	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	119.9975	0.882	4	120.0760	0.614	5	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	117.5210	0.000	1	117.5210	0.000	1	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.9320	0.000	1	118.9320	0.000	1	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	118.3730	0.000	1	118.5105	0.038	2	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	118.6480	0.000	1	118.5105	0.038	2	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	120.4062	0.596	12	120.3495	0.439	15	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	120.1230	1.009	3	120.3495	0.439	15	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	118.3370	1.738	3	118.3370	3.021	3	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	118.8640	0.000	1	118.8640	0.000	1	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	119.7747	0.558	3	119.7747	0.312	3	119.3124	1.477	53	119.1960	1.654	57	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:2:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-2:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|N<4>,3|C<4>,4|H<1>}	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:2:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-2:C-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2{1|O<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O){1|H<1>,2|C<4>,4|C<3>}	114.4530	0.000	1	114.4530	0.000	1	114.4530	0.000	1	115.5330	4.823	3	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	114.0860	0.000	1	114.0860	0.000	1	116.0730	7.896	2	115.5330	4.823	3	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	118.0600	0.000	1	118.0600	0.000	1	116.0730	7.896	2	115.5330	4.823	3	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	115.2590	0.000	1	115.2590	0.000	1	115.2590	0.000	1	118.4880	4.638	8	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	120.8110	2.669	2	120.3733	4.135	3	118.9438	4.110	6	118.4880	4.638	8	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	119.4980	0.000	1	120.3733	4.135	3	118.9438	4.110	6	118.4880	4.638	8	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	117.4080	0.000	1	117.4080	0.000	1	118.9438	4.110	6	118.4880	4.638	8	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	117.6060	0.000	1	117.6060	0.000	1	118.9438	4.110	6	118.4880	4.638	8	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	117.5290	0.000	1	117.5290	0.000	1	118.9438	4.110	6	118.4880	4.638	8	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6]-4:S-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H){1|S<1>,2|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S){4|C<4>,4|H<1>}	118.9820	0.000	1	118.9820	0.000	1	118.9820	0.000	1	118.4880	4.638	8	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	122.5820	0.000	1	122.5820	0.000	1	122.5820	0.000	1	121.2903	9.885	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:Cl-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|Cl<1>,1|C<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl){3|C<4>,5|H<1>}	124.2810	0.000	1	124.2810	0.000	1	124.2810	0.000	1	121.2903	9.885	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	119.1770	0.000	1	119.1770	0.000	1	120.2198	11.409	4	121.2903	9.885	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	115.8930	0.000	1	115.8930	0.000	1	120.2198	11.409	4	121.2903	9.885	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.9045	0.059	2	122.9045	0.003	2	120.2198	11.409	4	121.2903	9.885	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-2:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a])	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a]){3|C<4>,5|H<1>}	124.3010	0.000	1	124.3010	0.000	1	124.3010	0.000	1	124.3010	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	118.2350	0.000	1	118.2350	0.000	1	118.7325	0.675	13	118.7579	0.632	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	118.2160	0.000	1	118.7166	0.787	10	118.7325	0.675	13	118.7579	0.632	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<4>,4|H<1>}	118.8510	0.000	1	118.7166	0.787	10	118.7325	0.675	13	118.7579	0.632	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	119.1528	0.626	6	118.7166	0.787	10	118.7325	0.675	13	118.7579	0.632	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	117.5910	1.086	2	118.7166	0.787	10	118.7325	0.675	13	118.7579	0.632	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	118.5340	0.000	1	118.5340	0.000	1	118.7325	0.675	13	118.7579	0.632	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<3>,2|C<4>,3|H<1>}	119.5870	0.000	1	119.5870	0.000	1	118.7325	0.675	13	118.7579	0.632	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[3,5,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,3|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	118.7579	0.632	14	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O){2|C<4>,3|H<1>,4|C<3>}	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	5:3:4:	3:4:1:1:	3:3:1:	Ga[3x6]-5:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H)	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	119.7465	0.977	2	119.7465	0.954	2	119.7465	0.954	2	119.7465	0.954	2	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	5:4:3:	3:4:1:1:	3:3:4:	Ga[3x6]-5:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3)	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	118.9210	0.725	2	118.9210	0.526	2	118.9210	0.526	2	118.8365	1.741	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6,6]	C[6]	C[6]	5:4:3:	3:4:1:1:	3:3:4:	In[3x6]-5:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C-4:	N[6,6](In[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3)	N[6,6](In[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	118.7943	1.649	4	118.7943	2.720	4	118.7943	2.720	4	118.8365	1.741	6	119.0658	3.968	325	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[3x6]	C[6]	4:3:2:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6]-3:Ge[6]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[3x6]C[6,6]3)(C[6]N[6]O)(Ge[6]N[6])	C[3x6](C[6,6]C[3x6]HH)3(N[6]Ge[6]C[6])	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O)	N[6](C[3x6]C[6,6]3)(C[6]N[6]O)(Ge[6]N[6]){1|B<3>,2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[6]Ge[6]C[6]){1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O){2|C<3>,2|N<3>,3|C<4>}	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O)	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ir)(C[6]N[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ir<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ir)(C[6]N[6]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	118.3740	0.000	1	118.3740	0.000	1	118.6950	0.102	4	118.6950	0.102	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	118.5380	0.000	1	118.5380	0.000	1	118.6950	0.102	4	118.6950	0.102	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	118.7570	0.000	1	118.7570	0.000	1	118.6950	0.102	4	118.6950	0.102	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	119.1110	0.000	1	119.1110	0.000	1	118.6950	0.102	4	118.6950	0.102	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H)	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6](C[4,6]C[4]2O[6])(N[6]C[6,6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[4,6]C[4]2O[6])(N[6]C[6,6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	119.8970	0.000	1	119.8970	0.000	1	119.8970	0.000	1	119.8970	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.2957	3.080	4	118.2957	9.489	4	118.0990	3.920	55	118.0990	3.920	55	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.2661	1.212	16	118.2661	1.469	16	118.0990	3.920	55	118.0990	3.920	55	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.2070	1.672	4	118.2070	2.797	4	118.0990	3.920	55	118.0990	3.920	55	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.3390	1.844	15	118.3390	3.401	15	118.0990	3.920	55	118.0990	3.920	55	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	117.6307	2.584	16	117.6307	6.678	16	118.0990	3.920	55	118.0990	3.920	55	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[6,6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O)	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	118.9915	0.768	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	118.9915	0.768	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](N[6]B[6]C)(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[6]B[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	117.9520	0.383	4	117.9520	0.146	4	118.1683	0.304	12	118.1683	0.304	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	117.2970	0.000	1	117.2970	0.000	1	118.1683	0.304	12	118.1683	0.304	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	118.4164	0.504	7	118.4164	0.254	7	118.1683	0.304	12	118.1683	0.304	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O[6]-2:	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	121.3572	0.269	5	121.2314	0.097	12	121.2314	0.097	12	121.2314	0.097	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:O[6]-2:	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	121.1416	0.328	7	121.2314	0.097	12	121.2314	0.097	12	121.2314	0.097	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH)	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:4:3:1:	4:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O){1|H<1>,2|C<4>,7|C<3>}	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	117.3090	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:1:	3:3:1:	C[6]-3:In[6]-4:C[6]-4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H)	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	115.7473	0.520	7	115.7473	0.270	7	116.1346	0.795	9	116.1346	0.795	9	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:4:4:1:	3:3:1:	C[6]-3:In[6]-4:C[6]-4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H)	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	117.4900	0.107	2	117.4900	0.012	2	116.1346	0.795	9	116.1346	0.795	9	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:2:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-2:N[6]-2:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<2>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	123.0665	0.213	2	123.0665	0.045	2	123.0665	0.045	2	122.7007	1.348	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:2:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:O[6]-2:	N[6](C[6]N[6]O[6])(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6])	N[6](C[6]N[6]O[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	122.3350	1.861	2	122.3350	3.464	2	122.3350	3.464	2	122.7007	1.348	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	122.0245	0.846	2	122.0245	0.716	2	122.0245	0.716	2	122.7569	5.891	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	122.0265	0.220	2	122.0265	0.048	2	122.2890	0.739	6	122.7569	5.891	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	122.4215	1.763	2	122.4215	3.108	2	122.2890	0.739	6	122.7569	5.891	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){1|N<3>,3|C<4>,5|H<1>}	122.4190	0.576	2	122.4190	0.331	2	122.2890	0.739	6	122.7569	5.891	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:N[6]-3:N[6]-2:	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6])	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	123.8250	4.221	4	123.8250	17.815	4	123.8250	17.815	4	122.7569	5.891	12	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O)	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	115.9778	0.503	4	115.9778	0.253	4	115.9778	0.253	4	118.0809	18.136	10	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	123.2615	1.128	2	123.2615	1.272	2	119.4830	26.596	6	118.0809	18.136	10	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	122.2540	1.403	2	122.2540	1.968	2	119.4830	26.596	6	118.0809	18.136	10	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]V)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,1|V<7>,2|C<3>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]V){2|C<3>,2|C<4>,5|H<1>}	112.9335	0.196	2	112.9335	0.038	2	119.4830	26.596	6	118.0809	18.136	10	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:1:	C[6]-3:B[6]-4:C[6]-4:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	122.0365	0.245	2	122.0365	0.060	2	122.0365	0.060	2	122.0365	0.060	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:4:3:1:	3:3:4:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	122.9310	0.000	1	122.9310	0.000	1	122.9310	0.000	1	122.9310	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:4:4:1:	3:4:1:	C[6]-4:C[6]-3:N[6]-2:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6])	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	118.4300	0.000	1	118.4300	0.000	1	118.4300	0.000	1	118.4300	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|H<1>,2|N<2>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|C<4>,3|H<1>,3|N<3>}	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]H)2	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,3|H<1>}	119.7925	0.161	2	119.7925	0.026	2	119.7925	0.026	2	119.7925	0.026	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2840	0.707	2	120.2840	0.500	2	120.2840	0.500	2	117.9578	9.488	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[6]2)2(O)	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N){1|Cu<2>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|P<3>,4|H<1>}	C[6](N[6]C[6]2)2(O){1|P<3>,2|H<1>,2|N<2>,4|C<4>}	115.6315	2.514	2	115.6315	6.319	2	115.6315	6.319	2	117.9578	9.488	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	P[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](P[6]C[6]Cu)(N[6]C[6]2)(NC[6])	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N){1|Cu<2>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|P<3>,4|H<1>}	C[6](P[6]C[6]Cu)(N[6]C[6]2)(NC[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	118.4515	1.678	2	118.4515	2.816	2	118.4515	2.816	2	118.4515	2.816	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	117.4440	0.000	1	117.4440	0.000	1	117.4440	0.000	1	117.4440	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O){1|H<1>,2|C<4>,5|C<3>}	121.5350	0.000	1	121.5350	0.000	1	121.5350	0.000	1	121.5350	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	6:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	B[5x3,5x5,21x6]-6:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|C<6>,4|B<6>,4|H<1>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|B<6>,8|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	119.9265	1.913	2	119.9265	3.659	2	119.9265	3.659	2	119.9265	3.659	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	B[6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O)	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){3|C<4>,4|H<1>,5|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	116.3400	0.000	1	116.3400	0.000	1	116.7095	0.273	2	118.2065	3.538	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	B[6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O)	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){2|C<4>,4|H<1>,6|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	117.0790	0.000	1	117.0790	0.000	1	116.7095	0.273	2	118.2065	3.538	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,8|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	118.8740	0.000	1	119.7035	1.376	2	119.7035	1.376	2	118.2065	3.538	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,9|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	120.5330	0.000	1	119.7035	1.376	2	119.7035	1.376	2	118.2065	3.538	4	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]TaN)(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){1|Ta<12>,1|N<3>,5|C<4>,8|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|N<2>,4|C<4>,5|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]TaN)(H){1|C<5>,1|H<1>,1|N<2>,4|C<4>}	118.6685	0.828	2	118.6685	0.686	2	118.6685	0.686	2	118.6685	0.686	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:4:1:	3:4:4:	In[6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:	N[6](In[6]O[6]CO)(C[6]C[6]2H)(C[6]C[6]C)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(CH3)	N[6](In[6]O[6]CO)(C[6]C[6]2H)(C[6]C[6]C){1|N<2>,3|C<4>,5|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,2|O<2>,5|C<4>}	130.6060	0.000	1	130.6060	0.000	1	130.6060	0.000	1	130.6060	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	122.9550	0.788	2	122.8730	2.384	6	122.7810	0.931	21	122.7810	0.931	21	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|N<2>,4|H<1>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	122.8320	1.939	4	122.8730	2.384	6	122.7810	0.931	21	122.7810	0.931	21	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])(N[6]P[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6]2)(N[6]C[6])(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	122.1015	0.076	2	122.1015	0.006	2	122.7810	0.931	21	122.7810	0.931	21	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	123.4470	0.560	2	122.8431	0.472	13	122.7810	0.931	21	122.7810	0.931	21	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	122.3335	0.989	2	122.8431	0.472	13	122.7810	0.931	21	122.7810	0.931	21	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	122.8221	0.625	9	122.8431	0.472	13	122.7810	0.931	21	122.7810	0.931	21	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	121.5643	2.744	4	121.5643	7.532	4	122.4006	5.714	8	122.4006	5.714	8	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	123.3685	2.147	2	123.2370	3.935	4	122.4006	5.714	8	122.4006	5.714	8	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|N<4>,2|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	123.1055	2.669	2	123.2370	3.935	4	122.4006	5.714	8	122.4006	5.714	8	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.6950	1.403	2	122.6950	1.968	2	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	123.7782	0.631	4	123.7782	0.398	4	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.1180	1.086	2	123.1180	1.180	2	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	123.1555	0.008	2	121.8814	4.059	10	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	122.3695	1.820	6	121.8814	4.059	10	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<4>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	119.1430	0.546	2	121.8814	4.059	10	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.2935	2.143	2	123.2935	4.593	2	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	123.5810	0.057	2	123.5810	0.003	2	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|S<2>,2|C<3>,6|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(N[6]C[6]2){2|C<4>,3|N<3>,4|H<1>}	122.7640	0.662	4	122.7640	0.438	4	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Se<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(N[6]C[6]2){3|C<4>,8|H<1>}	119.7565	0.332	4	119.7565	0.111	4	122.3128	3.147	30	122.3128	3.147	30	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,4|C<4>,9|H<1>}	115.9060	1.373	2	115.9060	1.886	2	115.9060	1.886	2	115.9060	1.886	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:4:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2){3|C<4>,8|H<1>}	125.2550	1.370	2	125.2550	1.878	2	125.2550	1.878	2	125.2550	1.878	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[6]2)(O[6]C[6])(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	C[6](N[6]C[6]2)(O[6]C[6])(O){3|C<4>,5|H<1>}	117.2480	0.000	1	117.2480	0.000	1	117.2480	0.000	1	117.2480	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H)	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	118.9220	0.000	1	118.9220	0.000	1	118.9220	0.000	1	118.9220	0.000	1	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,5|H<1>}	121.4370	1.983	2	121.4370	3.931	2	121.4370	3.931	2	121.4370	3.931	2	120.0516	8.815	215	119.4375	6.149	555
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){4|H<1>,7|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H){2|N<3>,4|C<4>,5|H<1>}	121.4210	0.000	1	121.4210	0.000	1	121.6480	0.103	2	121.6480	0.103	2	121.6480	0.103	2	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	121.8750	0.000	1	121.8750	0.000	1	121.6480	0.103	2	121.6480	0.103	2	121.6480	0.103	2	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:O-1:	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]N[6,6]C[6])2(O)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])2(O){1|P<4>,4|C<4>,4|H<1>}	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-2:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	121.6170	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.3970	0.000	1	120.3970	0.000	1	120.3415	0.006	2	120.3415	0.006	2	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.2860	0.000	1	120.2860	0.000	1	120.3415	0.006	2	120.3415	0.006	2	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,4|H<1>}	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.2900	0.000	1	119.2900	0.000	1	119.2900	0.000	1	119.2900	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:2:2:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:S[6]-2:N-2:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a])	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N){2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a]){2|C<4>,6|H<1>}	114.0165	0.467	2	114.0165	0.218	2	114.0165	0.218	2	114.0165	0.218	2	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,5|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){1|N<3>,4|C<4>,6|H<1>}	113.8750	0.307	2	113.8750	0.094	2	113.8750	0.094	2	115.1680	5.063	3	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.7540	0.000	1	117.7540	0.000	1	117.7540	0.000	1	115.1680	5.063	3	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	115.8170	0.000	1	116.2245	0.332	2	116.4580	0.330	3	117.3926	1.858	5	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	116.6320	0.000	1	116.2245	0.332	2	116.4580	0.330	3	117.3926	1.858	5	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	116.9250	0.000	1	116.9250	0.000	1	116.4580	0.330	3	117.3926	1.858	5	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	117.3926	1.858	5	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	119.1280	0.000	1	119.1280	0.000	1	119.1280	0.000	1	117.3926	1.858	5	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:2:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N-2:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N){2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){2|C<4>,6|H<1>}	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	114.9620	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:2:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-2:C-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CN)2{1|O<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	112.2270	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	114.2510	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6,6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	116.2474	8.502	21	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	118.8830	0.000	1	118.8830	0.000	1	118.9530	0.039	4	118.9530	0.039	4	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	119.2460	0.000	1	119.2460	0.000	1	118.9530	0.039	4	118.9530	0.039	4	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	118.8710	0.000	1	118.8415	0.002	2	118.9530	0.039	4	118.9530	0.039	4	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	118.8120	0.000	1	118.8415	0.002	2	118.9530	0.039	4	118.9530	0.039	4	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	120.6865	0.436	2	120.6865	0.190	2	121.1790	2.084	4	120.8438	1.520	6	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]S[6])	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	121.6715	2.256	2	121.6715	5.091	2	121.1790	2.084	4	120.8438	1.520	6	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O[6]-2:	N[6](C[6]C[6]O[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]O)(N[6]C[6]2)(O[6]C[6])	N[6](C[6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]2)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	120.1735	0.037	2	120.1735	0.001	2	120.1735	0.001	2	120.8438	1.520	6	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O)	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	116.7578	1.111	4	116.7578	1.234	4	116.7578	1.234	4	118.2551	5.525	8	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	119.7525	2.383	4	119.7525	5.678	4	119.7525	5.678	4	118.2551	5.525	8	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	119.5040	0.000	1	119.5040	0.000	1	119.5040	0.000	1	119.5040	0.000	1	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6]HH)2(C[6]N[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	121.1750	0.662	2	121.1750	0.438	2	121.1750	0.438	2	121.1750	0.438	2	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	120.9845	0.316	2	120.9845	0.100	2	117.7207	14.317	4	117.7207	14.317	4	119.3391	5.809	26	118.1083	9.428	49
856	466	762	0:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2){3|C<4>,8|H<1>}	114.4570	0.492	2	114.4570	0.242	2	117.7207	14.317	4	117.7207	14.317	4	119.3391	5.809	26	118.1083	9.428	49
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[3x6]	C[6]	4:4:3:	4:3:4:1:	3:3:3:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[5,6]-4:N[3x6]-3:C[3x6]-4:H-1:	N[3x6]-3:C[6]-3:C-3:	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H)	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO){2|C<3>,3|C<4>,3|H<1>}	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6,6]-3:C[6,6]-4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	N[3x6]-3:N[6]-4:C[6]-3:	N[3x6](C[6,6]C[6]N[6])2(C[6,6]C[6]2H)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H)	N[3x6](C[6,6]C[6]N[6])2(C[6,6]C[6]2H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,3|H<1>}	121.9265	1.620	2	121.9265	2.624	2	121.9265	2.624	2	121.9265	2.624	2	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	3:3:1:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	N[3x6]-3:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2)2(H)2	C[6,6](N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H){1|Pd<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H){1|N<3>,1|P<4>,8|H<1>}	108.7845	0.087	2	108.7845	0.008	2	108.7845	0.008	2	108.7845	0.008	2	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	P[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-3:N[3x6]-3:H-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H){1|Pd<4>,3|C<4>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,7|H<1>}	C[6,6](N[3x6]C[6,6]2)2(H){1|N<3>,1|P<4>,8|H<1>}	112.4525	1.343	2	112.4525	1.803	2	112.4525	1.803	2	112.4525	1.803	2	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	108.4015	0.940	2	108.4015	0.883	2	108.3310	0.629	22	108.3310	0.629	22	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	108.3738	0.974	6	108.3738	0.949	6	108.3310	0.629	22	108.3310	0.629	22	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H){2|C<4>,5|H<1>}	108.1380	0.803	2	108.1380	0.645	2	108.3310	0.629	22	108.3310	0.629	22	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	108.3301	0.788	12	108.3301	0.621	12	108.3310	0.629	22	108.3310	0.629	22	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:N[3x6]-3:O-1:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(O)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O){2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(O){2|C<4>,8|H<1>}	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	108.1500	0.000	1	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	108.1805	0.809	4	108.1805	0.654	4	108.0923	0.412	6	108.0923	0.412	6	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	107.9160	0.076	2	107.9160	0.006	2	108.0923	0.412	6	108.0923	0.412	6	109.3233	11.461	35	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	3:4:4:	3:4:3:4:	4:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	115.8120	0.000	1	115.8120	0.000	1	115.8120	0.000	1	115.8120	0.000	1	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	3:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO){1|O<1>,2|C<4>}	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|S<2>,2|C<4>}	121.5290	0.000	1	121.5290	0.000	1	121.5290	0.000	1	121.5290	0.000	1	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|H<1>,2|C<4>}	116.5270	0.000	1	116.5270	0.000	1	116.5270	0.000	1	116.5270	0.000	1	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	116.5500	0.478	2	116.5500	0.228	2	116.4942	0.083	4	116.4942	0.083	4	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	116.4385	0.081	2	116.4385	0.007	2	116.4942	0.083	4	116.4942	0.083	4	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH)	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH){1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	117.3705	0.411	4	117.3705	0.169	4	116.7992	0.366	12	116.7992	0.366	12	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	116.6308	0.496	6	116.6308	0.246	6	116.7992	0.366	12	116.7992	0.366	12	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	116.1615	0.033	2	116.1615	0.001	2	116.7992	0.366	12	116.7992	0.366	12	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:Cl-1:	C[4x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[4x6]O)(H)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6]H)(Cl)	C[6,6](C[4x6]C[3x6]2Cl)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[4x6]O)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6]H)(Cl){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[4x6]C[3x6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	117.1080	0.000	1	117.1080	0.000	1	117.1080	0.000	1	116.7340	0.280	2	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:Cl-1:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[5,3x6]O)(H)	C[3x6](C[6,6]C[5,6,6]HH)2(N[6,6]C[6,6]H)(Cl)	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[5,3x6]O)(H){1|Cl<1>,2|C<4>,4|H<1>}	C[3x6](C[6,6]C[5,6,6]HH)2(N[6,6]C[6,6]H)(Cl){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	116.7340	0.280	2	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:N-2:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5])	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H){2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5]){2|C<4>,5|H<1>}	115.2020	0.000	1	115.2020	0.000	1	115.2020	0.000	1	115.2020	0.000	1	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	113.0530	0.000	1	114.4473	1.459	3	114.4473	1.459	3	114.4473	1.459	3	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:3:	3:3:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.1445	0.035	2	114.4473	1.459	3	114.4473	1.459	3	114.4473	1.459	3	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:4:	3:4:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[3x6]-4:Se-1:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se){2|C<3>,3|H<1>,4|C<4>}	116.7320	0.000	1	116.7320	0.000	1	116.7320	0.000	1	116.7320	0.000	1	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:4:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[3x6]-4:B-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3){2|C<3>,3|H<1>,4|C<4>}	118.2615	0.183	2	118.2615	0.034	2	117.7596	0.413	8	117.7596	0.413	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:4:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[3x6]-4:B-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3){2|C<3>,3|H<1>,4|C<4>}	118.2025	0.281	2	118.2025	0.079	2	117.7596	0.413	8	117.7596	0.413	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:4:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[3x6]-4:B-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3){2|C<3>,3|H<1>,4|C<4>}	117.0763	0.479	3	117.0763	0.229	3	117.7596	0.413	8	117.7596	0.413	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:4:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	N[6,6]-3:C[3x6]-4:B-4:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3){2|C<3>,3|H<1>,4|C<4>}	117.9200	0.000	1	117.9200	0.000	1	117.7596	0.413	8	117.7596	0.413	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	2:3:3:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	S[6,6]-2:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH)	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH){1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	118.7920	0.000	1	118.7920	0.000	1	118.7920	0.000	1	117.9274	0.398	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO){1|O<1>,2|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	117.6540	0.000	1	117.6540	0.000	1	117.8039	0.322	7	117.9274	0.398	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3){1|O<1>,2|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	117.9052	0.731	4	117.9278	0.403	5	117.8039	0.322	7	117.9274	0.398	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3){1|O<1>,2|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	118.0180	0.000	1	117.9278	0.403	5	117.8039	0.322	7	117.9274	0.398	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:2:4:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO){1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	117.3340	0.000	1	117.3340	0.000	1	117.8039	0.322	7	117.9274	0.398	8	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	116.8800	0.000	1	117.0475	0.056	2	117.0475	0.056	2	117.0475	0.056	2	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	117.2150	0.000	1	117.0475	0.056	2	117.0475	0.056	2	117.0475	0.056	2	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|C<4>,3|C<3>,3|H<1>}	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,2|C<4>,4|H<1>}	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	115.4235	0.069	4	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	115.0710	0.000	1	115.0710	0.000	1	115.4243	0.104	3	115.4235	0.069	4	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]O)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]O)(N[6,6]C[3x6]C)(O){2|C<3>,2|C<4>,2|H<1>}	115.5010	0.000	1	115.5010	0.000	1	115.4243	0.104	3	115.4235	0.069	4	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,2|C<4>,3|H<1>}	115.7010	0.000	1	115.7010	0.000	1	115.4243	0.104	3	115.4235	0.069	4	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	4:3:3:2:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:O-2:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH){1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	116.8359	1.714	51	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[3x6]-4:C[6]-3:C[6]-4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O){1|N<3>,4|C<4>,6|H<1>}	125.2600	0.000	1	125.2600	0.000	1	125.2600	0.000	1	125.2600	0.000	1	122.0403	16.957	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O)	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|S<4>,3|C<4>,7|H<1>}	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2{1|N<3>,2|C<4>,3|O<1>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	127.7140	0.000	1	127.7140	0.000	1	127.7140	0.000	1	127.7140	0.000	1	122.0403	16.957	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	3:4:3:3:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O){1|H<1>,2|C<4>,4|C<3>}	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	122.0403	16.957	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	117.1200	0.909	2	117.1200	0.827	2	117.1200	0.827	2	117.1200	0.827	2	122.0403	16.957	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O){6|C<4>,6|H<1>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<1>,3|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	124.8860	0.000	1	124.8860	0.000	1	124.8860	0.000	1	124.8860	0.000	1	122.0403	16.957	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	122.0403	16.957	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6,6]	4:3:1:	3:4:3:3:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[3x6]-4:N[6,6]-3:N[6,6]-3:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2{2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.1880	0.516	4	116.1880	0.266	4	116.1880	0.266	4	116.1880	0.266	4	116.9341	0.658	12	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:N[6,6]-3:C[6]-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[6]C[5,6]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[6]C[5,6]HH){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	117.9470	0.000	2	117.9470	0.000	2	117.9470	0.000	2	117.9470	0.000	2	116.9341	0.658	12	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6,6]	4:3:1:	4:3:4:3:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	117.3743	0.552	4	117.3743	0.305	4	117.3743	0.305	4	117.3743	0.305	4	116.9341	0.658	12	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6,6]-3:N[6,6]-3:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6]C[5a,6]C[6a]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6]C[5a,6]C[6a]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	116.9341	0.658	12	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6,6]	4:3:1:	4:4:3:4:	4:3:1:	C[4x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	C[5,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]H)(C[6]C[5,6]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]HH)(N[6,6]C[6,6]H)(C[6]C[5,6]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){4|H<1>,5|C<4>}	116.2630	0.000	1	116.2630	0.000	1	116.2630	0.000	1	116.2630	0.000	1	116.9341	0.658	12	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6]	4:4:3:	3:4:3:4:	3:3:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]C[6])(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|I<1>,2|O<1>,4|C<4>,6|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	123.6887	5.784	4	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6]	4:4:3:	4:4:3:4:	3:3:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[4x6]C[6])(C[6]O[6]O)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[4x6](C[3x6]C[6,6]O[6]C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]O[6]O)(O){2|H<1>,4|C<4>}	120.2830	0.000	1	120.2830	0.000	1	120.2830	0.000	1	120.2830	0.000	1	123.6887	5.784	4	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:	C[4x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,8|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(C[6]C[6]HH){2|O<1>,5|C<4>,8|H<1>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	124.2845	0.375	2	124.2845	0.141	2	124.2845	0.141	2	124.2845	0.141	2	123.6887	5.784	4	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:3:3:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2{2|H<1>,5|C<3>}	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	121.5418	8.936	9	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6]	4:3:3:	3:3:4:1:	4:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:N[6]-2:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6])	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	116.6745	0.005	2	116.6745	0.000	2	116.6745	0.000	2	116.6745	0.000	2	121.5418	8.936	9	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	121.5940	0.000	1	121.5940	0.000	1	121.9087	0.763	3	121.9087	0.763	3	121.5418	8.936	9	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	122.0660	1.174	2	122.0660	1.378	2	121.9087	0.763	3	121.9087	0.763	3	121.5418	8.936	9	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){3|C<4>,7|H<1>}	124.2310	0.000	2	124.2310	0.000	2	124.2310	0.000	2	124.2310	0.000	2	121.5418	8.936	9	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6,6]	4:3:4:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6,6]-4:C[6]-4:C-4:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){5|C<4>,5|H<1>}	124.2680	0.000	1	124.2680	0.000	1	124.2680	0.000	1	124.2680	0.000	1	121.5418	8.936	9	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	111.7175	0.015	2	111.7175	0.000	2	111.7175	0.000	2	111.7175	0.000	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	114.7280	0.000	1	114.7280	0.000	1	114.7280	0.000	1	112.3450	4.271	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,5|C<3>}	111.0450	0.000	1	111.0450	0.000	1	111.1535	0.024	2	112.3450	4.271	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	111.2620	0.000	1	111.2620	0.000	1	111.1535	0.024	2	112.3450	4.271	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:1:	3:2:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:N[6]-2:C[3]-4:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H){1|N<3>,4|C<3>,5|H<1>}	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	118.4170	0.000	1	118.4170	0.000	1	118.4170	0.000	1	118.4170	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	115.1605	0.016	2	115.1605	0.000	2	115.1605	0.000	2	115.1605	0.000	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:1:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	125.1760	0.000	1	125.1760	0.000	1	125.1760	0.000	1	125.1760	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:4:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O[6]-2:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	125.1290	0.000	1	125.1290	0.000	1	125.1290	0.000	1	125.1290	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:2:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	120.4250	0.000	1	120.4250	0.000	1	122.1605	6.024	2	122.1605	6.024	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:2:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	123.8960	0.000	1	123.8960	0.000	1	122.1605	6.024	2	122.1605	6.024	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:2:	3:4:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH)	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	124.5180	1.112	2	124.5180	1.236	2	124.5180	1.236	2	124.5180	1.236	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	110.7590	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:4:	4:3:4:1:	4:3:1:	C[6]-3:C[6,6]-4:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[3,6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH)	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O){4|H<1>,6|C<4>}	123.1780	0.000	1	123.1780	0.000	1	123.1780	0.000	1	123.1780	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:2:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:N-3:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	120.4345	1.886	4	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:S-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(S)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.4470	0.000	1	118.4470	0.000	1	118.4470	0.000	1	120.4345	1.886	4	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.5410	0.000	1	121.5410	0.000	1	121.5410	0.000	1	120.4345	1.886	4	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	120.4345	1.886	4	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	112.6500	0.000	1	112.6500	0.000	1	112.6500	0.000	1	113.4830	1.388	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-3:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-3:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO){1|N<3>,2|H<1>,4|C<3>}	114.3160	0.000	1	114.3160	0.000	1	114.3160	0.000	1	113.4830	1.388	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	122.7430	0.000	1	122.7430	0.000	1	122.7430	0.000	1	120.8175	7.415	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O)	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O){1|O<1>,2|C<4>,3|C<3>}	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	120.8175	7.415	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	117.9270	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.5670	0.000	1	121.5670	0.000	1	121.5670	0.000	1	120.6133	1.033	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.6133	1.033	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O){2|C<3>,2|C<4>,2|H<1>}	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	120.6133	1.033	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-3:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O)	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O){3|C<3>,3|H<1>,4|C<4>}	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	123.8930	0.000	1	123.8930	0.000	1	123.8930	0.000	1	123.8930	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:3:3:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|H<1>,4|C<4>}	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[5,6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	126.3415	1.768	2	126.3415	3.128	2	126.3415	3.128	2	126.3415	3.128	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	125.8760	0.000	1	125.8760	0.000	1	123.5310	4.264	3	123.5310	4.264	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	122.3585	0.528	2	122.3585	0.279	2	123.5310	4.264	3	123.5310	4.264	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	122.2920	1.808	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.2943	1.384	3	122.5950	1.399	6	122.5950	1.399	6	122.2920	1.808	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	121.8957	0.336	3	122.5950	1.399	6	122.5950	1.399	6	122.2920	1.808	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5,5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O){2|C<3>,5|C<4>,6|H<1>}	118.8060	0.000	1	118.8060	0.000	1	118.8060	0.000	1	122.1449	8.139	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	122.7300	0.144	2	122.7300	0.021	2	122.7300	0.021	2	122.1449	8.139	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6,6]C[6,6]C[6]S)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]S)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,5|H<1>}	119.1760	0.000	1	119.1760	0.000	1	119.1760	0.000	1	122.1449	8.139	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[3,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	125.0680	0.000	1	125.0680	0.000	1	125.0680	0.000	1	122.1449	8.139	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	120.3220	0.000	1	120.3220	0.000	1	123.2520	17.170	2	122.1449	8.139	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	126.1820	0.000	1	126.1820	0.000	1	123.2520	17.170	2	122.1449	8.139	7	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	125.9940	0.000	1	126.0456	0.190	5	126.0456	0.190	5	126.0456	0.190	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,4|C<4>,6|H<1>}	125.9455	0.272	2	126.0456	0.190	5	126.0456	0.190	5	126.0456	0.190	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	125.6090	0.000	1	126.0456	0.190	5	126.0456	0.190	5	126.0456	0.190	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,5|C<4>,5|H<1>}	126.7340	0.000	1	126.0456	0.190	5	126.0456	0.190	5	126.0456	0.190	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){4|C<4>,7|H<1>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	124.4257	0.450	4	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH){5|C<4>,5|H<1>}	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){5|H<1>,6|C<4>}	124.9570	0.000	2	124.9570	0.000	2	124.9570	0.000	2	124.4257	0.450	4	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]N)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(N[6,6]C[6,6]C[6])(O){1|O<2>,4|H<1>,6|C<4>}	123.5630	0.000	1	123.5630	0.000	1	123.5630	0.000	1	124.4257	0.450	4	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	126.4330	0.000	1	125.5932	1.693	6	125.5932	1.693	6	125.5932	1.693	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,2|O<2>,4|C<4>,4|H<1>}	125.7375	0.210	2	125.5932	1.693	6	125.5932	1.693	6	125.5932	1.693	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	126.1770	0.000	1	125.5932	1.693	6	125.5932	1.693	6	125.5932	1.693	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:4:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	N[6,6]-3:C[6,6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	124.7370	2.423	2	125.5932	1.693	6	125.5932	1.693	6	125.5932	1.693	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	2:3:3:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	122.4090	0.000	1	122.4090	0.000	1	122.4090	0.000	1	122.4090	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:2:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:S[6]-2:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	124.8137	0.465	3	124.8137	0.216	3	124.8137	0.216	3	124.8137	0.216	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:2:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:O[6]-2:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.7960	0.000	1	123.7960	0.000	1	123.7960	0.000	1	123.7960	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.9330	0.000	1	122.9330	0.000	1	122.9330	0.000	1	122.9330	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:2:	4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:N[6,6]-3:O-2:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	116.0320	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<4>,2|H<1>,3|C<3>}	120.1810	0.000	1	120.1810	0.000	1	120.1810	0.000	1	120.1810	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.7440	0.000	1	121.7440	0.000	1	121.7440	0.000	1	124.9880	21.047	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:S[6]-2:S-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|S<1>,1|S<2>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(S){1|C<4>,3|C<3>,3|H<1>}	128.2320	0.000	1	128.2320	0.000	1	128.2320	0.000	1	124.9880	21.047	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	121.2695	0.142	2	119.2512	5.691	4	119.2512	5.691	4	119.1340	4.337	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.2330	0.871	2	119.2512	5.691	4	119.2512	5.691	4	119.1340	4.337	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	119.1340	4.337	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:C-4:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	120.6265	3.804	2	122.0890	13.650	3	123.4602	9.861	9	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	125.0140	0.000	1	122.0890	13.650	3	123.4602	9.861	9	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	125.7750	0.000	1	125.7750	0.000	1	123.4602	9.861	9	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	118.4000	0.000	1	118.4000	0.000	1	123.4602	9.861	9	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	126.2530	0.000	1	126.0620	0.073	2	123.4602	9.861	9	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	125.8710	0.000	1	126.0620	0.073	2	123.4602	9.861	9	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	124.2880	0.042	2	124.2880	0.002	2	123.4602	9.861	9	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	124.7320	0.000	1	124.7320	0.000	1	124.2041	5.496	13	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	126.9315	0.343	2	126.9315	0.118	2	124.2041	5.496	13	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	125.5830	0.000	1	125.5830	0.000	1	124.2041	5.496	13	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O){1|C<3>,2|C<4>,5|H<1>}	119.4640	0.471	2	119.4640	0.222	2	124.2041	5.496	13	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	124.3730	0.000	1	124.3730	0.000	1	124.2041	5.496	13	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	125.4900	0.000	1	124.5400	0.738	5	124.2041	5.496	13	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	124.3025	0.780	4	124.5400	0.738	5	124.2041	5.496	13	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	124.4740	0.000	1	124.4740	0.000	1	124.2041	5.496	13	123.8998	7.037	22	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,4|H<1>}	124.9930	0.000	1	124.9930	0.000	1	124.9930	0.000	1	124.9930	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	123.2160	3.380	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:3:1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:P-4:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3){1|H<1>,1|O<2>,3|O<1>,4|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|O<1>}	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	123.2160	3.380	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	123.7830	3.253	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	121.4410	0.000	1	121.4410	0.000	1	124.1496	3.059	5	123.7830	3.253	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	125.5330	0.000	1	125.6050	0.010	2	124.1496	3.059	5	123.7830	3.253	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	125.6770	0.000	1	125.6050	0.010	2	124.1496	3.059	5	123.7830	3.253	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	123.4870	0.000	1	123.4870	0.000	1	124.1496	3.059	5	123.7830	3.253	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	124.6100	0.000	1	124.6100	0.000	1	124.1496	3.059	5	123.7830	3.253	6	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	124.0855	1.744	2	124.0855	3.043	2	124.0855	3.043	2	124.6994	1.515	27	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<3>,2|C<4>,3|H<1>}	123.3220	0.000	1	123.3220	0.000	1	123.3220	0.000	1	124.6994	1.515	27	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	121.5730	0.000	1	121.5730	0.000	1	124.8627	1.444	23	124.6994	1.515	27	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	125.7299	0.538	12	125.4874	0.490	15	124.8627	1.444	23	124.6994	1.515	27	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	124.5173	0.273	3	125.4874	0.490	15	124.8627	1.444	23	124.6994	1.515	27	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	123.5730	0.471	4	123.5730	0.222	4	124.8627	1.444	23	124.6994	1.515	27	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,1|S<2>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	124.5557	0.558	3	124.5557	0.311	3	124.8627	1.444	23	124.6994	1.515	27	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	124.6994	1.515	27	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<4>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O){2|C<4>,3|H<1>,4|C<3>}	126.8200	0.000	1	126.8200	0.000	1	126.8200	0.000	1	126.8200	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){4|C<4>,4|H<1>}	125.4630	0.000	1	125.4630	0.000	1	125.4630	0.000	1	125.4630	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	124.3780	0.000	1	124.3780	0.000	1	123.9308	1.021	4	123.9706	0.774	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	122.5510	0.000	1	123.2180	0.890	2	123.9308	1.021	4	123.9706	0.774	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	123.8850	0.000	1	123.2180	0.890	2	123.9308	1.021	4	123.9706	0.774	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	124.9090	0.000	1	124.9090	0.000	1	123.9308	1.021	4	123.9706	0.774	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	N[6,6]-3:C[6]-4:S-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|S<1>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(S){4|C<4>,4|H<1>}	124.1300	0.000	1	124.1300	0.000	1	124.1300	0.000	1	123.9706	0.774	5	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	N[6,6]-3:C[6]-4:O-2:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|N<4>,3|C<4>,4|H<1>}	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:S-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(S)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(S){1|O<1>,2|C<4>,4|H<1>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,3|H<1>}	123.6155	0.241	2	123.6155	0.058	2	123.6155	0.058	2	123.6155	0.058	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	114.6320	0.000	1	114.6320	0.000	1	114.6320	0.000	1	120.0500	58.709	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O)	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O){3|C<4>,4|C<3>}	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,2|N<3>,5|H<1>}	125.4680	0.000	1	125.4680	0.000	1	125.4680	0.000	1	120.0500	58.709	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	125.0097	0.796	3	124.8372	0.542	4	124.8372	0.542	4	123.1182	4.383	9	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	124.3200	0.000	1	124.8372	0.542	4	124.8372	0.542	4	123.1182	4.383	9	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	121.4027	0.285	3	121.4027	0.081	3	121.7430	3.041	5	123.1182	4.383	9	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	119.8940	0.000	1	119.8940	0.000	1	121.7430	3.041	5	123.1182	4.383	9	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	124.6130	0.000	1	124.6130	0.000	1	121.7430	3.041	5	123.1182	4.383	9	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:C[6]-3:N[6,6]-3:H-1:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:N[6,6]-3:O[6]-2:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.3555	0.353	2	118.3555	0.125	2	118.3555	0.125	2	118.3555	0.125	2	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:3:2:	4:3:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:C[6]-3:N[6,6]-3:O-2:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O)	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	125.7230	0.000	1	125.7230	0.000	1	125.7230	0.000	1	125.7230	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:Cl-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl){3|C<4>,5|H<1>}	116.8000	0.000	1	116.8000	0.000	1	116.8000	0.000	1	121.7693	24.761	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	126.7520	0.000	1	126.7520	0.000	1	124.2540	12.480	2	121.7693	24.761	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	121.7560	0.000	1	121.7560	0.000	1	124.2540	12.480	2	121.7693	24.761	3	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:O-2:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a])	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a]){3|C<4>,5|H<1>}	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5,5,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	124.9320	0.000	1	124.9320	0.000	1	124.9320	0.000	1	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	126.2800	0.000	1	126.2800	0.000	1	125.4082	1.295	13	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	124.2740	0.000	1	125.3508	1.634	10	125.4082	1.295	13	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<4>,4|H<1>}	123.9800	0.000	1	125.3508	1.634	10	125.4082	1.295	13	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	126.1878	0.791	6	125.3508	1.634	10	125.4082	1.295	13	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	124.0635	1.008	2	125.3508	1.634	10	125.4082	1.295	13	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	125.2300	0.000	1	125.2595	0.002	2	125.4082	1.295	13	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	125.2890	0.000	1	125.2595	0.002	2	125.4082	1.295	13	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	125.8500	0.000	1	125.8500	0.000	1	125.8500	0.000	1	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	126.1680	0.000	1	126.1680	0.000	1	126.1680	0.000	1	125.4536	1.101	16	122.6569	14.666	192	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[3x6]	3:4:3:	3:4:1:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O){1|Si<4>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2{1|O<1>,1|O<2>,4|C<4>,8|H<1>}	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	120.1277	9.627	14	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[3x6]	3:4:4:	3:4:1:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	116.7170	2.355	2	116.7170	5.544	2	116.7170	5.544	2	120.8950	11.238	9	120.1277	9.627	14	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[3x6]	3:4:4:	3:4:1:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2)	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2){1|O<3>,2|C<4>,2|N<3>,2|O<2>,8|H<1>}	122.4110	1.763	4	122.4110	3.109	4	122.8535	2.982	6	120.8950	11.238	9	120.1277	9.627	14	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[3x6]	3:4:4:	3:4:1:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2{1|O<1>,1|O<2>,4|C<4>,8|H<1>}	123.7385	1.798	2	123.7385	3.233	2	122.8535	2.982	6	120.8950	11.238	9	120.1277	9.627	14	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[3x6]	3:4:4:	3:4:1:1:	3:3:3:	C[3x6]-3:Si[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6](C[3x6]N[6,6]2)(Si[6]O[6]CC)(C[6]C[6]HH)	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2	N[6,6](C[3x6]N[6,6]2)(Si[6]O[6]CC)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2{1|O<1>,1|O<2>,4|C<4>,8|H<1>}	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	120.8950	11.238	9	120.1277	9.627	14	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	3:3:3:	B[5,6,6]-4:C[3x6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH)	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2)	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2){1|O<3>,2|C<4>,2|N<3>,2|O<2>,8|H<1>}	120.2975	3.275	2	120.2975	10.723	2	120.2975	10.723	2	119.1145	5.901	4	120.1277	9.627	14	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[3x6]	4:3:4:	3:4:1:1:	3:3:3:	B[6,6]-4:C[3x6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH)	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2)	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	C[3x6](N[6,6]B[5,6,6]C[6])(N[6,6]B[6,6]C[6])(N[6,6]C[6]2){1|O<3>,2|C<4>,2|N<3>,2|O<2>,8|H<1>}	117.9315	1.176	2	117.9315	1.383	2	117.9315	1.383	2	119.1145	5.901	4	120.1277	9.627	14	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:S[6]-2:N[6]-2:	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6])	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.9260	0.877	2	116.9260	0.769	2	116.9260	0.769	2	116.9260	0.769	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|S<1>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	118.6350	0.000	1	118.6350	0.000	1	118.6350	0.000	1	118.6350	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	118.5860	0.000	1	118.5860	0.000	1	118.5860	0.000	1	118.5533	0.496	3	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	117.8330	0.000	1	117.8330	0.000	1	118.5370	0.991	2	118.5533	0.496	3	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	119.2410	0.000	1	119.2410	0.000	1	118.5370	0.991	2	118.5533	0.496	3	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[6]-3:N[6,6]-3:	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	C[6,6](C[5,6]C[5,6]N[5])(N[6]C[6,6a]Pt)(N[6,6]C[6]2)	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Pt<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]N[5])(N[6]C[6,6a]Pt)(N[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	119.8243	0.818	15	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-3:N[6,6]-3:	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.4623	0.403	3	120.4623	0.162	3	120.4623	0.162	3	119.8243	0.818	15	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:N[6,6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	119.4293	0.680	9	119.4293	0.462	9	119.4293	0.462	9	119.8243	0.818	15	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	119.5685	0.226	2	119.5685	0.051	2	119.5685	0.051	2	119.8243	0.818	15	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	119.7160	0.000	1	119.7160	0.000	1	119.7160	0.000	1	119.7160	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])2(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])2(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	117.4510	0.233	2	117.4510	0.054	2	117.4510	0.054	2	117.4510	0.054	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:1:	3:2:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-3:N[6]-2:C[6]-4:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N){1|N<3>,3|H<1>,4|C<3>}	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	117.4900	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	118.0890	0.000	1	118.0890	0.000	1	118.0890	0.000	1	117.5380	0.607	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:S[6]-2:	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6])	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	116.9870	0.000	1	116.9870	0.000	1	116.9870	0.000	1	117.5380	0.607	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2){1|N<3>,2|C<3>,2|N<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	118.3840	0.109	2	118.7514	1.073	25	118.7514	1.073	25	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	118.7283	1.147	20	118.7514	1.073	25	118.7514	1.073	25	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	119.1740	0.000	1	118.7514	1.073	25	118.7514	1.073	25	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	119.1385	0.054	2	118.7514	1.073	25	118.7514	1.073	25	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	118.5013	0.581	31	118.5013	0.337	31	118.5013	0.337	31	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	114.9823	0.304	3	114.9823	0.092	3	118.1119	2.281	19	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	118.9879	0.524	7	118.6236	0.318	14	118.1119	2.281	19	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	118.3215	0.538	2	118.6236	0.318	14	118.1119	2.281	19	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	118.2346	0.288	5	118.6236	0.318	14	118.1119	2.281	19	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	118.4460	0.000	1	118.4460	0.000	1	118.1119	2.281	19	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	120.0020	0.000	1	120.0020	0.000	1	118.1119	2.281	19	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	120.5850	0.000	1	120.5850	0.000	1	120.5647	5.106	3	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.8140	0.000	1	122.8140	0.000	1	120.5647	5.106	3	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	118.2950	0.000	1	118.2950	0.000	1	120.5647	5.106	3	118.5583	1.338	79	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-4:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	125.3300	0.000	1	125.3300	0.000	1	125.3300	0.000	1	125.3300	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-4:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	124.9620	0.000	1	124.9620	0.000	1	124.9620	0.000	1	124.9620	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:2:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:O-2:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:O-2:	C[5a,6]-3:N[6,6]-3:N[6]-3:	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	119.0800	0.018	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C-4:O-2:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	119.0800	0.018	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,7|H<1>}	122.4115	0.650	2	122.4115	0.422	2	122.0813	0.538	3	122.0813	0.538	3	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,7|H<1>}	121.4210	0.000	1	121.4210	0.000	1	122.0813	0.538	3	122.0813	0.538	3	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	123.3605	0.346	2	123.3605	0.120	2	123.3605	0.120	2	123.3605	0.120	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-2:	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]NN)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2{2|C<4>,4|N<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]NN)(N[6]C[6]){2|N<3>,8|H<1>}	117.1500	4.847	2	117.1500	23.489	2	117.1500	23.489	2	117.1500	23.489	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]){2|C<4>,8|H<1>}	121.4815	1.539	4	121.4815	2.368	4	121.4473	2.748	14	121.2557	5.233	21	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<4>,7|H<1>}	121.4960	0.000	1	120.7725	1.047	2	121.4473	2.748	14	121.2557	5.233	21	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<4>,7|H<1>}	120.0490	0.000	1	120.7725	1.047	2	121.4473	2.748	14	121.2557	5.233	21	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Pd<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6]){2|C<4>,8|H<1>}	122.2577	0.908	6	122.2577	0.825	6	121.4473	2.748	14	121.2557	5.233	21	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6]){2|C<4>,8|H<1>}	119.6225	3.454	2	119.6225	11.932	2	121.4473	2.748	14	121.2557	5.233	21	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	120.9997	3.653	6	120.9997	13.344	6	120.9997	13.344	6	121.2557	5.233	21	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:S[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6,6]C[6,6a]N[6])(S[6]C[6,6a]OO)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a])	N[6,6](C[6,6]C[6,6a]N[6])(S[6]C[6,6a]OO)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|O<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a]){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	120.1100	0.000	1	120.1100	0.000	1	120.1100	0.000	1	121.2557	5.233	21	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Mo<5>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)2{2|C<4>,8|H<1>}	118.7893	1.399	3	118.7893	1.957	3	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Al)(N[6]C[6]C)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Al<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Al)(N[6]C[6]C){2|C<4>,8|H<1>}	121.9534	2.175	8	121.9534	4.730	8	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	122.1407	0.748	4	122.3824	1.631	14	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	122.4791	1.460	10	122.3824	1.631	14	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2{2|C<4>,8|H<1>}	121.8548	2.294	6	121.8548	5.261	6	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]C)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]C){2|C<4>,8|H<1>}	121.7545	3.061	2	122.7715	4.616	6	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]C)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]C){2|C<4>,8|H<1>}	123.2800	1.880	4	122.7715	4.616	6	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]H){2|C<4>,8|H<1>}	122.7160	0.561	2	122.7160	0.315	2	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<2>,1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si){2|C<4>,8|H<1>}	123.5425	1.710	2	123.4653	3.862	6	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<4>,1|Si<5>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si){2|C<4>,8|H<1>}	123.4267	2.336	4	123.4653	3.862	6	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(N[6]C[6]C)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Fe<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(N[6]C[6]C){2|C<4>,8|H<1>}	123.4292	1.639	4	123.4292	2.685	4	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]W)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|W<6>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]W){2|C<4>,8|H<1>}	122.1620	1.152	6	122.1620	1.327	6	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2{2|C<4>,8|H<1>}	121.7479	0.726	20	121.7987	0.714	25	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2{4|C<4>,6|H<1>}	122.0016	1.309	5	121.7987	0.714	25	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ir)(N[6]C[6]2)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ir<6>,1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ir)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	123.5020	2.749	2	123.5020	7.558	2	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Li<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H){2|C<4>,8|H<1>}	120.4898	1.761	4	120.4898	3.101	4	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)(N[6]C[6]H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Mo<6>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)(N[6]C[6]H){2|C<4>,8|H<1>}	121.9625	2.938	2	121.9625	8.632	2	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6]C)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Pd<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6]C){2|C<4>,8|H<1>}	123.1530	1.776	8	123.1530	3.154	8	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Pd<5>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)2{2|C<4>,8|H<1>}	123.0786	0.344	8	123.0786	0.119	8	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Re<6>,1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	123.5010	3.172	8	123.5010	10.063	8	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<6>,1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	122.7125	4.061	6	122.7125	16.495	6	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]Si)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<7>,1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]Si){2|C<4>,8|H<1>}	122.8978	1.210	24	122.9362	1.272	38	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]Si)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<8>,1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]Si){2|C<4>,8|H<1>}	123.1352	1.257	6	122.9362	1.272	38	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]Si)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<9>,1|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]Si){2|C<4>,8|H<1>}	122.9021	0.864	8	122.9362	1.272	38	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Ru<5>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)2{2|C<4>,8|H<1>}	122.6650	1.101	18	122.6650	1.213	18	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Si<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)2{2|C<4>,8|H<1>}	123.6675	0.026	2	123.6675	0.001	2	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(N[6]C[6]H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Zn<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(N[6]C[6]H){2|C<4>,8|H<1>}	120.7805	1.930	2	120.7805	3.724	2	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Zn<4>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)2{2|C<4>,8|H<1>}	123.3700	0.781	4	123.3700	0.610	4	122.5271	3.066	182	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]B[6,6]C[6])(N[6,6]C[6]2)(N[6]C[6]C)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|B<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6]B[6,6]C[6])(N[6,6]C[6]2)(N[6]C[6]C){4|C<4>,8|H<1>}	118.8570	2.643	2	118.8570	6.986	2	121.9974	6.347	8	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	123.0442	1.493	6	123.0442	2.229	6	121.9974	6.347	8	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:S[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(S[6]O[6]OO)	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(S[6]O[6]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	118.3155	1.610	2	118.3155	2.592	2	118.3155	2.592	2	122.4612	3.345	192	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	123.3885	0.011	2	123.3885	0.000	2	123.3885	0.000	2	123.3885	0.000	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:1:	3:3:4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	119.9490	0.000	1	119.9490	0.000	1	119.9490	0.000	1	119.9490	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:1:	4:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:N[6,6]-3:C[6]-3:	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	117.2190	0.273	2	117.2190	0.074	2	117.2190	0.074	2	117.2190	0.074	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,5|C<3>}	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.5350	0.075	2	120.5350	0.006	2	120.5350	0.006	2	120.5350	0.006	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){1|S<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.1175	0.425	2	122.1175	0.181	2	122.1175	0.181	2	122.3085	0.309	4	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[5a,6]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	122.3085	0.309	4	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	122.3085	0.309	4	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	123.6040	0.000	1	123.6040	0.000	1	123.6040	0.000	1	123.6040	0.000	1	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	121.2473	0.280	4	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){1|S<2>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.4380	0.313	2	121.4380	0.098	2	121.1287	0.336	3	121.2473	0.280	4	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	120.5100	0.000	1	120.5100	0.000	1	121.1287	0.336	3	121.2473	0.280	4	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	120.4953	2.001	6	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){5|C<4>,5|H<1>}	119.2370	0.000	1	119.2370	0.000	1	120.9123	1.320	4	120.4953	2.001	6	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	121.3945	0.426	2	121.4707	0.108	3	120.9123	1.320	4	120.4953	2.001	6	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	121.6230	0.000	1	121.4707	0.108	3	120.9123	1.320	4	120.4953	2.001	6	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	121.0690	0.000	1	121.0690	0.000	1	121.0690	0.000	1	120.4953	2.001	6	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){3|C<4>,7|H<1>}	120.6840	0.000	2	120.6840	0.000	2	120.6840	0.000	2	120.6840	0.000	2	121.1114	5.791	359	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[3x6]	C[6,6]	4:3:3:	3:3:4:1:	3:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH)	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	119.1270	0.571	2	119.1270	0.326	2	119.1270	0.326	2	119.1270	0.326	2	119.1270	0.326	2	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[3x6]	C[6]	4:3:1:	4:4:4:3:	3:2:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[5,6]-4:C[6]-4:N[6]-3:	N[6]-3:O[6]-2:O-1:	N[6](C[3x6]C[3x6]C[5,6]C[6])(C[6]O[6]O)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H)	C[6](N[6]C[3x6]H)(O[6]C[6])(O)	N[6](C[3x6]C[3x6]C[5,6]C[6])(C[6]O[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]H){2|C<4>,2|O<1>,3|O<2>,4|H<1>}	C[6](N[6]C[3x6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	124.7680	0.000	1	124.7680	0.000	1	124.7680	0.000	1	124.7680	0.000	1	125.8806	1.006	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[3x6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H){1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]H){2|O<1>,4|C<4>,4|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	126.3050	0.000	1	126.3050	0.000	1	126.8817	0.250	3	126.8817	0.250	3	125.8806	1.006	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[3x6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[3x6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6]3)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[3x6]C[6]3)(C[6]C[6]HH)2(N[6]C[6]H){2|O<1>,3|C<4>,8|H<1>}	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	127.1700	0.020	2	127.1700	0.000	2	126.8817	0.250	3	126.8817	0.250	3	125.8806	1.006	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[3x6]	C[6]	4:3:4:	4:2:4:3:	4:3:1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:O[6]-2:C[6]-4:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH)	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6]C[6,6]HP)(N[6]C[3x6]C)(O)	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HP)(N[6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	125.8806	1.006	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[3x6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:	C[5x6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H)	C[6](C[6,6]C[4x6]C[6]C)(N[6]C[3x6]C)(O)	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[4x6]C[6]C)(N[6]C[3x6]C)(O){1|C<3>,3|C<4>,4|H<1>}	125.4670	0.000	1	125.4670	0.000	1	125.4670	0.000	1	125.4670	0.000	1	125.8806	1.006	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[3x6]	C[6]	4:3:4:	4:4:4:3:	3:4:1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH)	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(O)	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2(N[6]C[6]C){2|O<1>,4|C<4>,4|H<1>}	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	125.0210	0.000	1	125.0210	0.000	1	125.0210	0.000	1	125.0210	0.000	1	125.8806	1.006	7	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6]-3:C[6,6]-4:H-1:	C[6]-4:N[6]-3:C[6]-4:O[6]-2:	N[5,6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[5,6,6]N[6])(C[6,6]C[6]2O[6])(H)	C[6,6](C[6]C[5,6]CH)(N[6]C[6,6]H)(C[6]C[6]HH)(O[6]C[6])	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H)	N[6](C[6,6]N[5,6,6]N[6])(C[6,6]C[6]2O[6])(H){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6]C[5,6]CH)(N[6]C[6,6]H)(C[6]C[6]HH)(O[6]C[6]){2|N<3>,3|C<4>,4|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H){2|H<1>,2|O<2>,6|C<4>}	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	121.3266	6.107	8	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6]	4:3:1:	4:3:3:2:	3:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a]){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	123.3935	0.083	2	123.3935	0.007	2	123.3935	0.007	2	123.3935	0.007	2	121.3266	6.107	8	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6]	4:3:1:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	121.3266	6.107	8	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,3|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	116.1840	0.000	1	121.3266	6.107	8	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.4670	0.000	1	121.4670	0.000	1	121.4670	0.000	1	121.3785	0.016	2	121.3266	6.107	8	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Br<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	121.2900	0.000	1	121.2900	0.000	1	121.2900	0.000	1	121.3785	0.016	2	121.3266	6.107	8	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6]	4:3:3:	4:3:3:1:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	121.3266	6.107	8	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	3:4:3:	4:3:4:3:	3:3:1:	C[6]-3:C[6,6]-4:N[5a]-3:	C[6]-4:N[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2)	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2){2|C<4>,5|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	124.2000	0.017	2	123.7973	0.274	4	123.7973	0.274	4	123.7973	0.274	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	3:4:3:	4:3:4:3:	3:3:1:	C[6]-3:C[6,6]-4:N[5a]-3:	C[6]-4:N[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2)	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2){2|C<4>,5|C<3>,6|H<1>}	C[6,6](C[6]C[6,6a]HH)(N[6]N[5a]C[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|N<3>,2|C<4>,5|C<3>}	123.3945	0.415	2	123.7973	0.274	4	123.7973	0.274	4	123.7973	0.274	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	2:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.5790	0.000	1	122.5790	0.000	1	122.5790	0.000	1	122.5790	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	120.0468	1.904	6	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H){1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	120.0468	1.904	6	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H){5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	120.6825	0.155	2	120.6825	0.024	2	120.6825	0.024	2	120.0468	1.904	6	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	120.0468	1.904	6	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	120.0468	1.904	6	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6,6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H)	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH)	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H){2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H){2|C<3>,4|N<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	120.6185	0.784	2	120.6185	0.615	2	120.6185	0.615	2	120.6185	0.615	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:N[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2{1|H<1>,1|N<2>,2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	124.9090	0.000	1	124.9090	0.000	1	124.9090	0.000	1	125.2460	0.227	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H)	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2{1|H<1>,1|N<2>,2|C<3>,2|O<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>}	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	125.2460	0.227	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(O[6]C[6,6])(O)	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	125.1420	0.000	1	125.1420	0.000	1	125.1420	0.000	1	125.1420	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.2048	0.463	4	124.5725	0.454	6	124.5725	0.454	6	123.5849	2.591	12	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	125.3080	0.065	2	124.5725	0.454	6	124.5725	0.454	6	123.5849	2.591	12	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	123.1515	0.412	2	123.7760	1.255	3	123.7760	1.255	3	123.5849	2.591	12	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	125.0250	0.000	1	123.7760	1.255	3	123.7760	1.255	3	123.5849	2.591	12	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)2(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	123.5849	2.591	12	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.9610	0.000	1	122.9610	0.000	1	121.9260	2.142	2	123.5849	2.591	12	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)2(S)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.8910	0.000	1	120.8910	0.000	1	121.9260	2.142	2	123.5849	2.591	12	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[5,6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H)	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,4|C<4>}	122.2820	0.000	1	122.2820	0.000	1	122.2820	0.000	1	124.8245	7.234	8	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	128.1090	0.000	2	125.1877	7.208	7	125.1877	7.208	7	124.8245	7.234	8	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	127.6580	0.000	1	125.1877	7.208	7	125.1877	7.208	7	124.8245	7.234	8	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.2955	0.045	2	125.1877	7.208	7	125.1877	7.208	7	124.8245	7.234	8	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	124.1980	0.000	1	125.1877	7.208	7	125.1877	7.208	7	124.8245	7.234	8	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|C<3>,3|C<4>}	123.6490	0.000	1	125.1877	7.208	7	125.1877	7.208	7	124.8245	7.234	8	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|N<2>,1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>,4|H<1>}	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O){1|C<3>,1|N<2>,2|C<4>}	131.1860	0.952	4	131.1860	0.906	4	131.0448	0.779	5	131.0448	0.779	5	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H){1|O<1>,2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O){1|N<2>,2|C<4>,3|C<3>}	130.4800	0.000	1	130.4800	0.000	1	131.0448	0.779	5	131.0448	0.779	5	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	3:2:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	N[6]-3:N[6]-2:S-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6](N[6]C[6,6]H)(N[6]C[6,6])(S)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6]H)(N[6]C[6,6])(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.3360	0.000	1	125.3360	0.000	1	125.3360	0.000	1	125.3360	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6](N[6]C[6,6]H)2(O)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.0800	0.000	1	126.0800	0.000	1	126.0800	0.000	1	127.2017	2.538	3	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	129.0250	0.000	1	129.0250	0.000	1	127.7625	3.188	2	127.2017	2.538	3	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6](N[6]C[6,6]H)2(S)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.5000	0.000	1	126.5000	0.000	1	127.7625	3.188	2	127.2017	2.538	3	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.3740	0.000	1	127.3740	0.000	1	127.3070	0.009	2	127.8882	0.576	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.2400	0.000	1	127.2400	0.000	1	127.3070	0.009	2	127.8882	0.576	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:2:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6]-4:N[6]-3:S-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	128.4695	0.607	2	128.4695	0.369	2	128.4695	0.369	2	127.8882	0.576	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S)	N[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]S)(H){2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H)	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O){1|C<4>,1|H<1>,1|O<2>}	123.2720	0.000	1	123.2720	0.000	1	123.2720	0.000	1	123.2720	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:3:2:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O){1|O<2>,2|C<4>,2|H<1>}	127.3839	0.657	16	127.3839	0.431	16	127.3839	0.431	16	127.3839	0.431	16	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,2|C<4>,2|H<1>}	123.4695	0.387	2	123.4695	0.150	2	123.4695	0.150	2	123.4695	0.150	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O)	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2{2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.5530	1.348	2	125.5530	1.816	2	125.5530	1.816	2	125.5530	1.816	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	125.8310	1.385	12	125.8310	1.918	12	125.8310	1.918	12	125.8932	1.665	14	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:3:3:4:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	126.2665	0.472	2	126.2665	0.222	2	126.2665	0.222	2	125.8932	1.665	14	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	124.1260	0.000	1	124.1260	0.000	1	124.1260	0.000	1	122.8383	0.942	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.7840	0.000	1	122.1935	0.335	2	122.1935	0.335	2	122.8383	0.942	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	122.6030	0.000	1	122.1935	0.335	2	122.1935	0.335	2	122.8383	0.942	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O){2|C<4>,2|H<1>}	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1	122.8383	0.942	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH){2|H<1>,3|C<4>}	124.0010	0.000	1	124.0010	0.000	1	124.0010	0.000	1	120.7217	8.140	3	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]N)(NIrO)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]N)(NIrO){2|C<4>,2|H<1>}	119.0820	0.385	2	119.0820	0.148	2	119.0820	0.148	2	120.7217	8.140	3	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3){2|H<1>,3|C<4>}	122.4150	0.000	1	122.4150	0.000	1	122.4150	0.000	1	122.4150	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	128.2630	0.000	1	128.2630	0.000	1	126.5225	6.059	2	127.0662	2.419	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O){2|C<4>,2|H<1>}	124.7820	0.000	1	124.7820	0.000	1	126.5225	6.059	2	127.0662	2.419	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-4:S-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,6|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(S){2|C<4>,3|H<1>}	127.6100	0.124	2	127.6100	0.015	2	127.6100	0.015	2	127.0662	2.419	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6,6]Cl2)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6,6]Cl2)(N[6]C[6,6]H)(O){2|H<1>,3|C<4>}	128.3440	0.000	1	128.3440	0.000	1	128.3440	0.000	1	127.4740	1.514	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.6040	0.000	1	126.6040	0.000	1	126.6040	0.000	1	127.4740	1.514	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|O<1>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	125.6430	0.000	1	125.6430	0.000	1	125.9540	0.193	2	125.9540	0.193	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:2:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO){1|O<1>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	126.2650	0.000	1	126.2650	0.000	1	125.9540	0.193	2	125.9540	0.193	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:3:2:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N[6]-3:N[6]-3:	C[6]-3:N[6]-3:N-2:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.4430	0.000	1	124.4430	0.000	1	124.4430	0.000	1	124.4430	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O)	N[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	125.1275	0.367	2	125.1275	0.135	2	125.1275	0.135	2	125.1275	0.135	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	4:4:3:4:	3:3:3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	N[6]-3:N[6]-3:N-3:	N[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	N[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]N)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|N<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){2|H<1>,3|C<4>}	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:2:	3:3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O){1|C<3>,1|H<1>,1|N<3>}	127.1520	0.000	1	127.1520	0.000	1	127.1520	0.000	1	127.1520	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	2:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6580	0.000	1	118.6580	0.000	1	118.5463	0.028	4	118.5463	0.028	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	2:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	O[6]-2:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,2|C<4>,4|H<1>}	C[6,6](O[6]C[6,6a])(C[6]C[6]HH)2(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.5090	0.184	3	118.5090	0.034	3	118.5463	0.028	4	118.5463	0.028	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O){1|N<3>,2|H<1>,3|C<3>}	118.3970	0.163	2	118.3970	0.026	2	118.3970	0.026	2	118.3970	0.026	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])2(C[6]C[6,6a]O)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|O<1>,4|C<4>,6|C<3>}	C[6,6](N[6]C[6a]C[6])2(C[6]C[6,6a]O)2{1|C<4>,2|O<1>,7|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	120.6075	1.068	2	120.6075	1.142	2	120.6075	1.142	2	120.6075	1.142	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,4|C<3>}	126.2570	0.000	1	126.2570	0.000	1	126.2570	0.000	1	126.2570	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	116.2870	0.000	1	116.2870	0.000	1	116.2870	0.000	1	116.2870	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	117.9350	0.000	1	117.9350	0.000	1	117.1855	1.124	2	117.1855	1.124	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	116.4360	0.000	1	116.4360	0.000	1	117.1855	1.124	2	117.1855	1.124	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:N[6,6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH)	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH){3|C<3>,3|C<4>}	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	124.8570	0.000	1	124.8570	0.000	1	124.8570	0.000	1	120.8950	31.395	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H){2|C<4>,2|H<1>,3|C<3>}	116.9330	0.000	1	116.9330	0.000	1	116.9330	0.000	1	120.8950	31.395	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]C[6a])(O[6]C[6])(O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	126.1960	0.000	1	126.1960	0.000	1	126.1960	0.000	1	126.1960	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:2:3:1:	3:3:3:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3){1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH){1|C<3>,1|O<2>,2|H<1>}	124.1620	0.000	2	124.1620	0.000	2	124.1620	0.000	2	124.1620	0.000	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	121.5965	0.701	2	121.5965	0.491	2	121.5965	0.491	2	118.6274	7.941	5	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	116.0935	0.211	2	116.0935	0.045	2	116.6480	0.945	3	118.6274	7.941	5	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|N<3>}	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	117.7570	0.000	1	117.7570	0.000	1	116.6480	0.945	3	118.6274	7.941	5	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3){5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.2440	0.000	1	119.2440	0.000	1	119.2440	0.000	1	119.2440	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	124.4110	0.000	1	124.4110	0.000	1	124.4110	0.000	1	124.4110	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	121.3950	0.000	1	121.3950	0.000	1	121.0705	0.064	4	121.0705	0.064	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	120.9623	0.161	3	120.9623	0.026	3	121.0705	0.064	4	121.0705	0.064	4	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:2:3:1:	3:3:3:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:2:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6]C)(N[6]C[6,6]H)(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:2:3:	3:3:1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:C[6a]-3:O[6]-2:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S)	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S){4|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	120.1140	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]O)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|O<1>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,3|H<1>}	122.9340	0.000	1	122.9340	0.000	1	122.9340	0.000	1	122.3835	0.217	36	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	123.0120	0.000	1	123.0120	0.000	1	122.3678	0.214	35	122.3835	0.217	36	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	122.6309	0.458	7	122.6309	0.210	7	122.3678	0.214	35	122.3835	0.217	36	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	122.2966	0.424	25	122.2966	0.180	25	122.3678	0.214	35	122.3835	0.217	36	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	122.0150	0.645	2	122.0150	0.416	2	122.3678	0.214	35	122.3835	0.217	36	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:2:	C[6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-2:	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H)	C[6](N[6]C[6,6]C)2(OCa)	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H){2|C<4>,2|N<3>,2|O<2>,5|H<1>}	C[6](N[6]C[6,6]C)2(OCa){1|C<4>,2|H<1>,2|N<3>}	122.3845	0.740	19	122.3845	0.547	19	122.3845	0.547	19	122.3845	0.547	19	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){2|C<3>,2|C<4>,2|H<1>}	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1	119.6750	0.159	3	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H){2|H<1>,3|C<4>}	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	119.6750	0.159	3	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	119.6750	0.159	3	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	118.9223	1.032	4	118.9223	1.064	4	118.9223	1.064	4	120.1802	8.710	5	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O){1|C<3>,1|H<1>,3|C<4>}	125.2120	0.000	1	125.2120	0.000	1	125.2120	0.000	1	120.1802	8.710	5	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:N[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	115.5060	0.000	1	115.5060	0.000	1	115.5060	0.000	1	115.5060	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,8|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	N[6]-3:C[6]-4:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]TaN)(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){1|Ta<12>,1|N<3>,5|C<4>,8|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|Ta<12>,1|C<5>,4|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]TaN)(H){1|C<5>,1|H<1>,1|N<2>,4|C<4>}	120.1845	0.689	2	120.1845	0.475	2	120.1845	0.475	2	120.1845	0.475	2	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:4:3:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,9|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	123.3083	10.506	205	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6,6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2)	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	118.8110	0.000	1	118.8110	0.000	1	118.8110	0.000	1	118.8110	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	117.3700	2.155	5	117.3700	4.642	5	117.3700	4.642	5	117.3700	4.642	5	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:B[6,6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(B[6,6]C[6,6]2)(C[6]C[6]HH)	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2	C[6,6](N[6]B[6,6]C[6])(N[6,6]C[6]2)(N[6]C[6]C)	N[6](C[6,6]N[6,6]N[6])(B[6,6]C[6,6]2)(C[6]C[6]HH){4|H<1>,8|C<4>}	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	C[6,6](N[6]B[6,6]C[6])(N[6,6]C[6]2)(N[6]C[6]C){4|C<4>,8|H<1>}	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	116.7399	4.164	8	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ir)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ir<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ir)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	116.7920	0.000	1	116.7920	0.000	1	116.9313	0.852	4	116.7399	4.164	8	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	117.8750	0.000	1	117.6085	0.142	2	116.9313	0.852	4	116.7399	4.164	8	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	117.3420	0.000	1	117.6085	0.142	2	116.9313	0.852	4	116.7399	4.164	8	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	115.7160	0.000	1	115.7160	0.000	1	116.9313	0.852	4	116.7399	4.164	8	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	117.7713	2.044	3	117.7713	4.177	3	117.7713	4.177	3	116.7399	4.164	8	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1	117.8480	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:3:3:3:	3:3:3:	C[6,6]-3:C[6]-4:O-1:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O)	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	122.9595	0.231	2	122.9595	0.053	2	122.9595	0.053	2	122.9595	0.053	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:3:4:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	123.7810	0.000	1	123.7810	0.000	1	123.7810	0.000	1	123.7810	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){5|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){2|C<4>,8|H<1>}	124.2070	0.000	1	124.2070	0.000	1	124.2070	0.000	1	124.2070	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	126.7600	0.000	1	126.7600	0.000	1	125.3383	2.016	8	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	124.7077	0.454	3	124.8045	0.175	4	125.3383	2.016	8	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){5|C<4>,5|H<1>}	125.0950	0.000	1	124.8045	0.175	4	125.3383	2.016	8	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	123.1550	0.000	1	125.5760	5.130	3	125.3383	2.016	8	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	125.9300	0.000	1	125.5760	5.130	3	125.3383	2.016	8	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	127.6430	0.000	1	125.5760	5.130	3	125.3383	2.016	8	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	123.0220	0.020	2	122.7910	1.590	7	122.7358	0.744	31	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	122.6986	1.532	5	122.7910	1.590	7	122.7358	0.744	31	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Cu<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]H){2|C<4>,8|H<1>}	123.0690	0.000	1	123.0690	0.000	1	122.7358	0.744	31	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2{2|C<4>,8|H<1>}	122.6568	0.751	20	122.6568	0.565	20	122.7358	0.744	31	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Li<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H){2|C<4>,8|H<1>}	122.7310	0.000	1	122.7310	0.000	1	122.7358	0.744	31	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Mo<6>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)(N[6]C[6]H){2|C<4>,8|H<1>}	122.3290	0.000	1	122.3290	0.000	1	122.7358	0.744	31	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Zn<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(N[6]C[6]H){2|C<4>,8|H<1>}	124.0080	0.000	1	124.0080	0.000	1	122.7358	0.744	31	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	122.4290	1.076	3	122.4290	1.158	3	122.4290	1.158	3	123.2096	2.043	42	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(N[6]C[6]H){3|C<4>,7|H<1>}	123.2040	0.000	2	123.2040	0.000	2	123.7727	0.970	3	123.7727	0.970	3	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	124.9100	0.000	1	124.9100	0.000	1	123.7727	0.970	3	123.7727	0.970	3	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	3:3:2:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){1|N<2>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<4>,7|H<1>}	123.8220	0.000	1	123.8220	0.000	1	123.8220	0.000	1	123.8220	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2{4|C<4>,6|H<1>}	121.5660	0.000	1	121.5660	0.000	1	121.6670	4.946	5	121.6670	4.946	5	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H){2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)2{4|C<4>,6|H<1>}	121.6923	2.567	4	121.6923	6.590	4	121.6670	4.946	5	121.6670	4.946	5	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	119.9090	0.000	1	119.9090	0.000	1	119.9090	0.000	1	119.9090	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:2:	3:4:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-3:	C[5a,6]-3:N[6,6]-3:N[6]-3:	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H)	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	125.9210	0.000	1	125.9210	0.000	1	125.9210	0.000	1	126.0515	0.034	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:3:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-3:	N[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	126.1820	0.000	1	126.1820	0.000	1	126.1820	0.000	1	126.0515	0.034	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	4:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6,6]-4:N[6]-3:N[6]-3:	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C[6,6](C[6,6]C[6]2C)(N[6]C[6]H)2	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H){3|H<1>,4|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]2C)(N[6]C[6]H)2{4|H<1>,6|C<4>}	127.0605	0.894	2	127.0605	0.800	2	127.0605	0.800	2	127.0605	0.800	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	4:3:1:1:	4:4:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:N[6]-3:	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H)	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,3|C<4>,6|H<1>}	125.6400	0.000	1	125.6400	0.000	1	125.6400	0.000	1	125.6400	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:O-2:	N[5,6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[5,6,6]N[6])(C[6]C[6]CO)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC)	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H)	N[6](C[6,6]N[5,6,6]N[6])(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC){1|C<4>,1|H<1>,2|N<3>}	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H){2|H<1>,2|O<2>,6|C<4>}	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C){3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	120.2930	1.493	2	120.2930	2.230	2	120.2930	2.230	2	120.2930	2.230	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO){3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	114.1040	0.000	1	114.1040	0.000	1	114.8430	1.092	2	114.8430	1.092	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){3|C<4>,4|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	115.5820	0.000	1	115.5820	0.000	1	114.8430	1.092	2	114.8430	1.092	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-3:N[6]-3:	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C)	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO){3|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C){1|N<3>,6|C<4>,6|H<1>}	117.5425	0.005	2	117.5425	0.000	2	117.5425	0.000	2	117.5425	0.000	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:O[6]-2:	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6])	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:3:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	123.0305	0.354	2	123.0305	0.126	2	123.0305	0.126	2	123.0305	0.126	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:Si-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6]){2|C<4>,8|H<1>}	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){1|O<1>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C){2|C<4>,8|H<1>}	113.3910	0.000	1	113.3910	0.000	1	111.9565	4.116	2	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	110.5220	0.000	1	110.5220	0.000	1	111.9565	4.116	2	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	113.8990	0.000	1	113.8990	0.000	1	113.8990	0.000	1	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2{2|C<4>,8|H<1>}	119.9290	0.000	1	119.9290	0.000	1	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	119.4290	0.000	1	119.4290	0.000	1	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]C)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){1|Cu<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]C){2|C<4>,8|H<1>}	123.8430	0.000	1	123.8430	0.000	1	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Al)(N[6]C[6]C)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Al<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Al)(N[6]C[6]C){2|C<4>,8|H<1>}	121.9065	2.237	4	121.9065	5.005	4	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)(N[6]C[6]H){2|C<4>,8|H<1>}	120.1112	1.781	4	120.1112	3.172	4	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2{2|C<4>,8|H<1>}	118.7067	1.029	3	118.7067	1.058	3	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]C)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Cu<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]C){2|C<4>,8|H<1>}	120.3805	0.814	2	120.3805	0.662	2	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(N[6]C[6]C)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Fe<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(N[6]C[6]C){2|C<4>,8|H<1>}	119.1430	1.778	2	119.1430	3.160	2	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6]C)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Pd<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6]C){2|C<4>,8|H<1>}	119.6743	1.035	4	119.6743	1.071	4	120.2335	3.304	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6]B[6,6]C[6])(N[6,6]C[6]2)(N[6]C[6]C)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){1|B<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6]B[6,6]C[6])(N[6,6]C[6]2)(N[6]C[6]C){4|C<4>,8|H<1>}	122.1270	0.000	1	122.1270	0.000	1	122.1270	0.000	1	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:Si-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){1|Cu<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si){2|C<4>,8|H<1>}	113.8610	0.000	1	113.8610	0.000	1	118.4168	3.697	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:Si-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiN[6]CC)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiN[6]CC){1|Si<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)2{2|C<4>,8|H<1>}	113.9490	0.649	2	113.9490	0.421	2	118.4168	3.697	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:Si-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiRuCC)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]Si)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiRuCC){2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]Si){2|C<4>,8|H<1>}	119.1268	0.622	19	119.1268	0.387	19	118.4168	3.697	22	118.9634	6.958	48	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:2:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-2:N[6]-3:	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	124.6430	0.000	1	124.6430	0.000	1	124.6430	0.000	1	124.6430	0.000	1	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	119.4480	0.229	2	119.4480	0.052	2	119.4480	0.052	2	119.4480	0.052	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:5:4:	3:4:1:1:	3:3:3:	C[6,6]-3:Si-5:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(SiN[6]CuCC)(C[6]C[6]HH)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si)	N[6](C[6,6]N[6,6]N[6])(SiN[6]CuCC)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Si){2|C<4>,8|H<1>}	114.0625	0.387	2	114.0625	0.150	2	114.0625	0.150	2	114.0625	0.150	2	120.5665	11.833	142	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:2:4:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:S[6]-2:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:2:4:4:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	122.2030	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	122.2680	0.000	1	122.2680	0.000	1	122.2680	0.000	1	122.2680	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){4|C<3>,5|H<1>}	125.6640	0.000	1	125.4010	0.138	2	125.4010	0.138	2	124.0963	1.700	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<1>,1|C<4>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){1|C<1>,3|C<3>,6|H<1>}	125.1380	0.000	1	125.4010	0.138	2	125.4010	0.138	2	124.0963	1.700	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.4440	1.042	4	123.4440	1.085	4	123.4440	1.085	4	124.0963	1.700	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	119.7900	0.000	1	119.7900	0.000	1	119.7900	0.000	1	119.7900	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-3:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|H<1>,1|O<2>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,6|C<3>}	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	122.3400	0.243	2	122.3400	0.059	2	122.3400	0.059	2	122.3400	0.059	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	3:4:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:B[5a]-4:B[6]-3:	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O)	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>,4|O<2>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|B<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O){1|C<4>,2|H<1>,5|C<3>}	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	C[4,6,6]-4:N[6]-3:O-1:	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2	C[6](C[4,6,6]C[4,6]2O[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[4,6,6]C[4,6]2O[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	121.6923	1.775	3	121.6923	3.151	3	121.6923	3.151	3	121.6923	3.151	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:2:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	122.5840	0.000	1	122.5840	0.000	1	123.3380	0.482	3	123.3380	0.482	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:2:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	123.7150	0.334	2	123.7150	0.111	2	123.3380	0.482	3	123.3380	0.482	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:3:2:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:C-3:O-2:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<2>,3|C<3>,5|C<4>}	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	121.4460	0.000	1	121.4460	0.000	1	121.4460	0.000	1	120.4220	1.048	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	119.8948	0.900	5	119.8948	0.811	5	119.8948	0.811	5	120.4220	1.048	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	121.2280	0.594	2	121.2280	0.353	2	121.2280	0.353	2	120.4220	1.048	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	2:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	O[6]-2:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4040	0.000	1	121.4040	0.000	1	121.4040	0.000	1	121.4040	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	2:3:4:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	N[6]-2:N[6]-3:C-4:C-4:	C[5a,6]-3:N[6]-3:C-3:	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO)	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H){1|C<3>,1|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	123.9390	0.000	1	123.9390	0.000	1	123.9390	0.000	1	123.9390	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){3|C<3>,3|H<1>}	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O)	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O){1|N<3>,4|C<3>}	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	122.7740	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(H)2	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	122.4470	0.000	1	122.4470	0.000	1	122.4470	0.000	1	122.4470	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:3:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	126.0063	0.825	3	126.0063	0.681	3	126.0063	0.681	3	125.1674	2.263	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	125.0070	0.000	1	125.0070	0.000	1	123.9090	2.411	2	125.1674	2.263	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){3|C<3>}	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.8110	0.000	1	122.8110	0.000	1	123.9090	2.411	2	125.1674	2.263	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[4,6]C[4,6]C[4]N[6])(N[6]C[6]H)(O)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[4,6]C[4,6]C[4]N[6])(N[6]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	126.1860	0.000	1	126.1860	0.000	1	126.1860	0.000	1	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	127.8600	0.000	1	127.8600	0.000	1	126.0352	5.385	12	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	125.5940	0.000	1	125.5940	0.000	1	126.0352	5.385	12	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	127.4910	0.000	1	127.4910	0.000	1	126.0352	5.385	12	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	124.5140	4.317	3	124.5140	18.633	3	126.0352	5.385	12	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	124.5460	0.000	1	124.5460	0.000	1	126.0352	5.385	12	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H)	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|N<3>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	124.7860	0.000	1	124.7860	0.000	1	126.0352	5.385	12	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	126.5170	0.000	1	126.5170	0.000	1	126.0352	5.385	12	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<4>,3|C<3>,6|H<1>}	127.3620	0.220	3	127.3620	0.048	3	126.0352	5.385	12	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	125.9199	0.348	11	125.9199	0.121	11	125.9199	0.121	11	125.9886	2.633	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:2:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:O-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	127.3050	0.000	1	127.3050	0.000	1	127.3050	0.000	1	127.1425	0.053	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:2:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:S-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC)	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	126.9800	0.000	1	126.9800	0.000	1	126.9800	0.000	1	127.1425	0.053	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|N<2>}	123.0030	0.000	2	124.5555	1.163	8	124.3939	1.097	10	124.3939	1.097	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	125.0730	0.585	6	124.5555	1.163	8	124.3939	1.097	10	124.3939	1.097	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.7475	0.831	2	123.7475	0.690	2	124.3939	1.097	10	124.3939	1.097	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	123.0240	0.000	1	123.0240	0.000	1	123.2380	0.092	2	123.2970	0.056	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	123.4520	0.000	1	123.4520	0.000	1	123.2380	0.092	2	123.2970	0.056	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:N[6]-3:O-1:	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	123.4150	0.000	1	123.4150	0.000	1	123.4150	0.000	1	123.2970	0.056	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	123.5450	0.000	1	123.5450	0.000	1	122.3300	2.952	2	122.3300	2.952	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){2|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2{1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){1|C<4>,2|C<3>,4|H<1>}	121.1150	0.000	1	121.1150	0.000	1	122.3300	2.952	2	122.3300	2.952	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	123.0040	0.000	1	122.6243	0.828	4	122.6243	0.828	4	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5]-3:N[6]-3:N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	122.4977	1.071	3	122.6243	0.828	4	122.6243	0.828	4	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	122.7130	0.000	1	122.7130	0.000	1	122.7130	0.000	1	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	N[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]2)(N[6]C[6]H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	122.9825	0.764	2	123.0235	0.585	4	123.0235	0.585	4	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]2)(N[6]C[6]H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	123.0645	1.078	2	123.0235	0.585	4	123.0235	0.585	4	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	122.3527	0.675	27	122.3527	0.456	27	122.5094	0.815	104	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	122.9813	0.391	3	122.9813	0.153	3	122.5094	0.815	104	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|Co<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	124.6590	0.000	1	124.6590	0.000	1	122.5094	0.815	104	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	122.4790	0.714	34	122.4790	0.510	34	122.5094	0.815	104	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	124.8850	0.000	1	124.8850	0.000	1	122.5094	0.815	104	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	122.4917	1.082	38	122.4917	1.170	38	122.5094	0.815	104	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|Fe<6>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]H){3|C<4>,5|H<1>}	119.9873	1.377	6	119.9873	1.897	6	119.9873	1.897	6	122.4063	1.139	121	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:C-4:	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	123.6215	0.325	2	123.6215	0.105	2	123.6215	0.105	2	123.7597	0.110	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:4:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:C-4:	N[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	N[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	123.7597	0.110	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[4,5,6]-4:N[6]-3:O-1:	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(N[6]C[6]H)(O)	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(N[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	123.3260	0.000	1	123.3260	0.000	1	123.3260	0.000	1	126.8269	2.786	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|C<4>,3|H<1>}	126.9560	0.000	1	126.9560	0.000	1	126.9560	0.000	1	126.8269	2.786	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){4|C<4>,4|H<1>}	126.6440	0.000	1	126.6440	0.000	1	127.5012	0.542	5	126.8269	2.786	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	127.4480	0.000	1	127.7155	0.417	4	127.5012	0.542	5	126.8269	2.786	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<3>,3|C<4>,7|H<1>}	128.2350	0.209	2	127.7155	0.417	4	127.5012	0.542	5	126.8269	2.786	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){4|C<4>,7|H<1>}	126.9440	0.000	1	127.7155	0.417	4	127.5012	0.542	5	126.8269	2.786	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5,5]-4:N[6]-3:N[6]-3:	N[6](C[6]C[5,5]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[5,5]C[5,5]C[5]O[5])(N[6]C[6]H)2	N[6](C[6]C[5,5]N[6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,5]C[5,5]C[5]O[5])(N[6]C[6]H)2{1|C<4>,1|O<2>,4|C<3>,6|H<1>}	122.7015	0.110	2	122.7015	0.012	2	122.7015	0.012	2	123.7013	3.005	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:N-3:	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O)	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH)	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O){1|O<2>,4|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH){3|C<4>,8|H<1>}	125.7010	0.000	1	125.7010	0.000	1	125.7010	0.000	1	123.7013	3.005	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1310	0.573	5	123.1310	0.328	5	123.1310	0.328	5	123.0591	0.243	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|C<3>,2|F<1>}	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.8795	0.231	2	122.8795	0.053	2	122.8795	0.053	2	123.0591	0.243	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-3:N[6]-3:H-1:	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3510	0.000	1	120.3510	0.000	1	120.3510	0.000	1	122.2796	1.338	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	122.4765	0.064	2	122.4765	0.004	2	122.4765	0.004	2	122.2796	1.338	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	123.0470	0.612	2	123.0470	0.375	2	123.0470	0.375	2	122.2796	1.338	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.5037	1.856	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	121.5037	1.856	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:3:1:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	121.5037	1.856	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	122.6943	9.943	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	122.6943	9.943	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	124.2860	0.000	1	124.2860	0.000	1	124.3810	1.935	5	122.6943	9.943	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	124.4047	1.605	4	124.4047	2.576	4	124.3810	1.935	5	122.6943	9.943	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O){2|C<4>,4|H<1>}	126.7405	0.555	2	126.7405	0.308	2	126.7405	0.308	2	127.7550	1.496	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	128.7695	0.248	2	128.7695	0.062	2	128.7695	0.062	2	127.7550	1.496	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	124.2200	0.000	1	124.2200	0.000	1	124.2200	0.000	1	124.2200	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:2:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(H){2|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){2|C<3>,2|H<1>,3|C<4>}	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[5]-3:N[6]-3:N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|C<4>,3|H<1>}	123.1060	0.000	1	123.2760	1.889	4	123.2760	1.889	4	123.5765	1.486	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[5]-3:N[6]-3:N[6]-3:	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[5]C[5]N[5])(N[6]C[6]H)2	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5]C[5]N[5])(N[6]C[6]H)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	123.3327	1.678	3	123.2760	1.889	4	123.2760	1.889	4	123.5765	1.486	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:N-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	123.8795	0.424	2	123.8795	0.179	2	124.3063	0.310	4	123.5765	1.486	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:N-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H)	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	124.7330	0.144	2	124.7330	0.021	2	124.3063	0.310	4	123.5765	1.486	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	121.7120	0.000	1	121.7120	0.000	1	121.7120	0.000	1	123.5765	1.486	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6a]C[6a]2)(N[6]C[6]O)2	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	123.6135	1.324	4	123.6135	1.753	4	123.6135	1.753	4	123.5765	1.486	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-2:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	122.0587	1.604	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC)	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,2|C<3>,3|H<1>}	123.5180	0.000	1	123.5180	0.000	1	123.5180	0.000	1	122.0587	1.604	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:2:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:N[6]-3:O-1:	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O){1|C<4>,2|H<1>,3|C<3>}	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	122.0587	1.604	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:2:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4500	0.000	1	122.4500	0.000	1	122.4500	0.000	1	122.4500	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:2:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	124.4980	0.000	1	124.4980	0.000	1	124.4980	0.000	1	124.4980	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:2:	4:3:4:4:	3:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>}	126.3640	0.000	1	126.3640	0.000	1	126.3640	0.000	1	126.3640	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:2:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O)	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	114.7720	0.000	1	114.7720	0.000	1	114.7720	0.000	1	114.7720	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:2:4:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	117.1350	0.001	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:2:4:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-2:C-4:C-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>}	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	117.1350	0.001	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:2:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:S[6]-2:S-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(S[6]C[6])(S)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S){2|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(S){1|N<3>,2|C<3>,4|H<1>}	125.3450	0.000	1	125.3450	0.000	1	125.3450	0.000	1	125.3450	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	119.4505	22.532	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])2(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(H)2{3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,4|H<1>}	116.0940	0.000	1	116.0940	0.000	1	116.0940	0.000	1	119.4505	22.532	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2{3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){4|C<3>,4|H<1>}	113.1300	0.021	2	113.1300	0.000	2	113.1300	0.000	2	113.1300	0.000	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	122.9567	0.352	3	122.9567	0.124	3	122.9567	0.124	3	122.9567	0.124	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:1:1:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){4|H<1>,5|C<3>}	124.8140	0.000	1	124.8140	0.000	1	124.8140	0.000	1	124.8140	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:2:2:	3:2:2:	C[5a]-3:C[6]-4:C[6]-3:	C[5a,6]-3:N[6]-3:C-2:S-2:	N[6]-3:N[6]-2:C-2:	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS)	C[6](N[6]C[5a]C[6])(N[6]C[5a,6])(CN)	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS){1|C<2>,1|C<3>,1|C<4>,2|N<2>,2|N<3>}	C[6](N[6]C[5a]C[6])(N[6]C[5a,6])(CN){1|C<2>,1|S<2>,2|C<3>,2|N<3>}	121.0510	0.000	1	121.0510	0.000	1	121.0510	0.000	1	121.0510	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:2:2:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:S-2:S-2:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(SC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(SC)2{1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|S<2>}	123.1820	0.325	2	123.1820	0.106	2	123.1820	0.106	2	123.1820	0.106	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,6|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	120.3660	0.000	1	120.3660	0.000	1	120.3660	0.000	1	120.3660	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:B-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BCN)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(BCN)(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	126.7480	0.431	2	126.7480	0.186	2	126.7480	0.186	2	125.9183	1.118	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(NHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	126.3935	0.288	2	126.3935	0.083	2	126.3935	0.083	2	125.9183	1.118	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:3:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:P-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	124.6135	0.296	2	124.6135	0.088	2	124.6135	0.088	2	125.9183	1.118	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:C-3:C-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(CCH)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(CCH)2{1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	124.1280	0.206	2	124.1280	0.043	2	124.1280	0.043	2	124.1280	0.043	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:2:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C[6](N[6]C[6a]C[6])(N[6]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	122.8820	0.000	1	122.8820	0.000	1	122.8820	0.000	1	122.1087	5.025	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:B-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BHHN)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(BHHN)(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.0700	0.160	2	125.0700	0.026	2	121.9798	5.891	6	122.1087	5.025	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:B-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BHHS)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(BHHS)(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.0435	0.118	2	120.0435	0.014	2	121.9798	5.891	6	122.1087	5.025	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:3:4:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:N[6]-3:B-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.8260	0.392	2	120.8260	0.153	2	121.9798	5.891	6	122.1087	5.025	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){3|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,2|C<3>,4|H<1>}	123.8050	0.191	2	123.8050	0.036	2	124.0443	0.190	3	124.0443	0.190	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:2:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	124.5230	0.000	1	124.5230	0.000	1	124.0443	0.190	3	124.0443	0.190	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	118.0830	0.000	1	118.0830	0.000	1	118.0975	0.000	2	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	118.1120	0.000	1	118.1120	0.000	1	118.0975	0.000	2	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:Br-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(Br)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(Br){1|C<4>,4|C<3>,4|H<1>}	120.7897	0.721	10	120.7897	0.520	10	120.7897	0.520	10	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	120.0410	1.102	3	120.0410	1.214	3	120.4915	1.076	15	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]Pd)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]Pd)(H){1|C<4>,2|C<3>,4|H<1>}	119.5980	0.000	1	119.5980	0.000	1	120.4915	1.076	15	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	120.6760	1.360	3	120.7444	1.168	10	120.4915	1.076	15	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	120.5760	0.764	2	120.7444	1.168	10	120.4915	1.076	15	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(H){2|C<4>,3|H<1>,4|C<3>}	118.9140	0.000	1	120.7444	1.168	10	120.4915	1.076	15	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	121.1210	0.000	1	120.7444	1.168	10	120.4915	1.076	15	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	121.4097	0.817	3	120.7444	1.168	10	120.4915	1.076	15	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	120.2080	0.000	1	120.2080	0.000	1	120.4915	1.076	15	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	124.7490	0.000	1	124.5250	0.078	3	124.6040	0.077	4	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	124.4130	0.283	2	124.5250	0.078	3	124.6040	0.077	4	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|I<1>,1|S<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	124.8410	0.000	1	124.8410	0.000	1	124.6040	0.077	4	120.9639	3.102	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:B-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(BBr2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(BBr2){1|C<4>,4|C<3>,4|H<1>}	122.0780	0.781	4	122.0780	0.611	4	122.0780	0.611	4	121.7010	2.155	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:P-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(PCl2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(PCl2){1|C<4>,4|C<3>,4|H<1>}	120.9470	2.690	2	120.9470	7.235	2	120.9470	7.235	2	121.7010	2.155	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:B-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(BBr3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(BBr3){1|C<4>,4|C<3>,4|H<1>}	122.7970	1.416	2	122.7970	2.004	2	122.7970	2.004	2	124.0454	1.875	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:Ga-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(GaCCO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(GaCCO){1|C<4>,4|C<3>,4|H<1>}	124.5500	0.724	2	124.5500	0.524	2	123.8987	0.987	4	124.0454	1.875	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:Ga-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(GaCl3)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(GaCl3){1|C<4>,4|C<3>,4|H<1>}	123.2475	0.861	2	123.2475	0.741	2	123.8987	0.987	4	124.0454	1.875	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:In-4:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]In)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])2(InCCO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]In){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(InCCO){1|C<4>,4|C<3>,4|H<1>}	125.5870	0.448	2	125.5870	0.201	2	125.5870	0.201	2	124.0454	1.875	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.8810	0.000	1	124.8810	0.000	1	123.6525	2.441	10	123.6525	2.441	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	125.3180	0.000	1	124.6983	0.292	3	123.6525	2.441	10	123.6525	2.441	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.3885	0.084	2	124.6983	0.292	3	123.6525	2.441	10	123.6525	2.441	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	124.3690	0.000	1	124.2140	0.048	2	123.6525	2.441	10	123.6525	2.441	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	124.0590	0.000	1	124.2140	0.048	2	123.6525	2.441	10	123.6525	2.441	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	123.7390	0.000	1	123.7390	0.000	1	123.6525	2.441	10	123.6525	2.441	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	121.7940	1.665	3	121.7940	2.772	3	123.6525	2.441	10	123.6525	2.441	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.4140	0.000	1	119.4140	0.000	1	118.9830	0.372	2	118.9830	0.372	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.5520	0.000	1	118.5520	0.000	1	118.9830	0.372	2	118.9830	0.372	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){1|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	116.9970	0.000	1	116.9970	0.000	1	116.9970	0.000	1	116.9970	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,5|C<3>}	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	124.5935	0.902	2	124.5935	0.813	2	124.8850	0.661	3	124.8850	0.661	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	125.4680	0.000	1	125.4680	0.000	1	124.8850	0.661	3	124.8850	0.661	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	121.0748	4.424	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(H){2|C<4>,3|H<1>,4|C<3>}	122.7690	0.000	1	122.7690	0.000	1	122.7690	0.000	1	121.0748	4.424	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H)	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6a]C[6])2(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	121.7615	0.217	2	121.7615	0.047	2	121.7615	0.047	2	121.0748	4.424	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	117.9710	0.232	2	117.9710	0.054	2	117.9710	0.054	2	117.7993	0.894	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.2330	1.448	2	117.2330	2.097	2	117.2330	2.097	2	117.7993	0.894	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.0020	0.000	1	119.0020	0.000	1	119.0020	0.000	1	117.7993	0.894	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C[5]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	117.3860	0.000	1	117.3860	0.000	1	117.3860	0.000	1	117.7993	0.894	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:C-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	113.5170	0.000	1	113.5170	0.000	1	113.5170	0.000	1	112.8540	0.879	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	112.1910	0.000	1	112.1910	0.000	1	112.1910	0.000	1	112.8540	0.879	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:4:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.2230	0.000	1	118.2230	0.000	1	118.4920	0.781	3	118.4920	0.781	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:4:1:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|I<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.6265	1.206	2	118.6265	1.454	2	118.4920	0.781	3	118.4920	0.781	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<2>,3|H<1>,4|C<4>}	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){3|C<3>,3|H<1>}	122.8380	0.000	1	122.8380	0.000	1	122.8380	0.000	1	119.1117	10.444	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	117.2485	0.244	2	117.2485	0.060	2	117.2485	0.060	2	119.1117	10.444	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){5|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){3|C<3>,5|H<1>}	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[5]-4:C[6]-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH)	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O)	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[3,6,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O)	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	123.4150	1.110	3	123.4150	1.233	3	123.4150	1.233	3	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	125.0990	0.000	1	125.0990	0.000	1	125.0990	0.000	1	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	122.6190	0.000	1	122.6190	0.000	1	123.5198	1.209	4	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){3|C<3>,4|H<1>}	124.4600	0.297	2	124.4600	0.088	2	123.5198	1.209	4	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.5400	0.000	1	122.5400	0.000	1	123.5198	1.209	4	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.8380	0.000	1	122.9465	0.024	2	122.2528	0.452	5	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.0550	0.000	1	122.9465	0.024	2	122.2528	0.452	5	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	121.7903	0.301	3	121.7903	0.091	3	122.2528	0.452	5	122.8696	2.215	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:2:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H)	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6]C)	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6]C){1|O<2>,2|H<1>,3|C<3>}	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:O-2:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H)	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	121.5175	3.530	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:S-2:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	121.5175	3.530	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	122.4960	0.000	1	122.4960	0.000	1	121.6153	2.124	6	121.6153	2.124	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	122.2210	0.000	1	122.2210	0.000	1	121.6153	2.124	6	121.6153	2.124	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	121.3647	2.091	3	121.3647	4.374	3	121.6153	2.124	6	121.6153	2.124	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.8810	0.000	1	120.8810	0.000	1	121.6153	2.124	6	121.6153	2.124	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H){1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	123.8970	0.000	1	123.8970	0.000	1	124.2170	0.469	3	124.2170	0.469	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,6|H<1>}	124.3770	0.885	2	124.3770	0.784	2	124.2170	0.469	3	124.2170	0.469	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	121.3900	0.000	1	119.8950	4.470	2	119.8950	4.470	2	119.8950	4.470	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	118.4000	0.000	1	119.8950	4.470	2	119.8950	4.470	2	119.8950	4.470	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:3:4:	C[6]-3:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C-4:	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH){2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	117.0720	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	121.5800	0.000	1	121.5800	0.000	1	121.5800	0.000	1	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	118.6970	0.403	2	118.6970	0.162	2	123.3499	4.161	16	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	123.6890	0.000	1	123.6890	0.000	1	123.3499	4.161	16	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	123.2360	0.000	1	123.2360	0.000	1	123.3499	4.161	16	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	125.5520	0.000	1	125.5520	0.000	1	123.3499	4.161	16	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	124.3778	0.216	4	124.2117	0.128	8	123.3499	4.161	16	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	124.0457	0.423	4	124.2117	0.128	8	123.3499	4.161	16	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	124.4275	0.309	2	124.4275	0.095	2	123.3499	4.161	16	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	121.1780	0.000	1	121.1780	0.000	1	123.3499	4.161	16	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	123.3448	0.802	4	123.7259	0.353	10	123.9736	0.844	14	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	123.9800	0.238	6	123.7259	0.353	10	123.9736	0.844	14	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6,6]N[6,6]S[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]S[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	125.2430	0.535	3	125.2430	0.287	3	123.9736	0.844	14	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	C[6](C[6,6]N[6,6]C[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]N[6,6]C[6]S)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.6430	0.000	1	122.6430	0.000	1	123.9736	0.844	14	123.5745	2.680	31	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:2:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:S-2:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a])	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a]){1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	123.4640	0.000	1	123.4640	0.000	1	123.4640	0.000	1	123.4640	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	125.3150	0.000	1	125.3150	0.000	1	125.3150	0.000	1	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.2040	0.000	1	121.2040	0.000	1	121.5515	0.242	2	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.8990	0.000	1	121.8990	0.000	1	121.5515	0.242	2	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	119.3850	0.000	1	119.3850	0.000	1	119.3850	0.000	1	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.3730	0.000	1	119.3730	0.000	1	120.7468	0.998	6	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.1630	0.000	1	120.1630	0.000	1	120.7468	0.998	6	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.7890	0.000	1	121.7890	0.000	1	120.7468	0.998	6	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.2770	0.000	1	121.2770	0.000	1	120.7468	0.998	6	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.1270	0.000	1	120.1270	0.000	1	120.7468	0.998	6	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.7520	0.000	1	121.7520	0.000	1	120.7468	0.998	6	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(S)	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2{1|S<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(S){1|C<4>,2|C<3>,3|H<1>}	119.8880	0.000	1	119.8880	0.000	1	119.8880	0.000	1	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,2|N<3>,5|H<1>}	122.7040	0.000	1	122.7040	0.000	1	122.7040	0.000	1	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-3:N[6]-3:H-1:	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H)	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.0350	0.000	1	116.0350	0.000	1	116.0350	0.000	1	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|C<3>,3|H<1>}	118.6080	1.670	2	118.6080	2.790	2	118.6080	2.790	2	120.5418	4.809	15	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)2{1|C<4>,2|C<3>,6|H<1>}	120.9130	0.000	1	120.9130	0.000	1	121.3907	0.348	9	120.7706	4.154	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	121.4203	0.455	3	121.4203	0.207	3	121.3907	0.348	9	120.7706	4.154	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)2{1|C<4>,2|C<3>,6|H<1>}	121.4684	0.726	5	121.4684	0.528	5	121.3907	0.348	9	120.7706	4.154	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	115.1900	0.000	1	115.1900	0.000	1	115.1900	0.000	1	120.7706	4.154	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	122.8500	0.000	1	122.8500	0.000	1	122.0560	0.474	3	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	121.6590	0.055	2	121.6590	0.003	2	122.0560	0.474	3	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:N[6]-3:H-1:	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	122.2940	0.000	1	122.2940	0.000	1	122.2940	0.000	1	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	125.7010	0.000	1	125.7010	0.000	1	125.6159	0.401	7	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	125.6550	0.000	1	125.6550	0.000	1	125.6159	0.401	7	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	126.8690	0.000	1	126.8690	0.000	1	125.6159	0.401	7	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	125.2057	0.389	3	125.2057	0.151	3	125.6159	0.401	7	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	125.4690	0.000	1	125.4690	0.000	1	125.6159	0.401	7	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,6|H<1>}	124.5810	0.000	1	124.5810	0.000	1	123.8579	12.079	10	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){4|C<4>,4|H<1>}	114.1390	0.000	1	114.1390	0.000	1	123.8579	12.079	10	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	125.4530	0.000	1	125.4530	0.000	1	123.8579	12.079	10	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	124.9000	0.649	2	125.0523	0.280	3	123.8579	12.079	10	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){2|C<3>,3|C<4>,3|H<1>}	125.3570	0.000	1	125.0523	0.280	3	123.8579	12.079	10	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(O){2|C<4>,4|C<3>,4|H<1>}	125.6520	0.000	1	125.6520	0.000	1	123.8579	12.079	10	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	124.4070	0.000	1	124.4070	0.000	1	123.8579	12.079	10	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){4|C<4>,7|H<1>}	124.5950	1.318	2	124.5950	1.737	2	123.8579	12.079	10	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O){1|C<3>,1|C<4>,4|H<1>}	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	125.7170	0.000	1	125.7170	0.000	1	125.7170	0.000	1	124.1648	6.691	23	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:C-3:	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH)	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH){1|C<3>,3|H<1>,4|C<4>}	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	115.9710	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:S-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	3:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	127.4380	0.000	1	127.4380	0.000	1	127.4380	0.000	1	125.5390	7.212	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:O-2:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	123.6400	0.000	1	123.6400	0.000	1	123.6400	0.000	1	125.5390	7.212	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.6440	0.000	1	119.6440	0.000	1	119.6440	0.000	1	121.0525	3.968	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	122.4610	0.000	1	122.4610	0.000	1	122.4610	0.000	1	121.0525	3.968	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:3:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	126.5280	0.000	1	126.5280	0.000	1	126.5280	0.000	1	126.5280	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.3060	0.000	1	119.3060	0.000	1	118.7180	0.691	2	121.4267	3.625	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.1300	0.000	1	118.1300	0.000	1	118.7180	0.691	2	121.4267	3.625	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	122.3005	0.018	2	122.3005	0.000	2	122.5703	0.219	3	121.4267	3.625	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	123.1100	0.000	1	123.1100	0.000	1	122.5703	0.219	3	121.4267	3.625	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	122.2600	0.000	1	122.2600	0.000	1	122.2600	0.000	1	121.4267	3.625	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){2|C<3>,2|C<4>,2|H<1>}	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	121.4267	3.625	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	123.8960	0.000	1	123.8960	0.000	1	123.8960	0.000	1	124.5147	3.225	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH){1|Cl<1>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|N<4>,1|O<1>}	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]C)(O){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	123.1100	0.000	1	123.1100	0.000	1	123.1100	0.000	1	124.5147	3.225	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	126.5380	0.000	1	126.5380	0.000	1	126.5380	0.000	1	124.5147	3.225	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:4:	3:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C-4:	N[6](C[6]C[6,6a]C)(C[6]C[6]CC)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)	N[6](C[6]C[6,6a]C)(C[6]C[6]CC)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	122.5430	0.000	1	122.5430	0.000	1	122.5430	0.000	1	122.5430	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:2:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]O[6]HH)(C[6]C[6]C)(O)	C[6](N[6]C[6]O)(O[6]C[6])(H)2	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO)	N[6](C[6]O[6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO){1|O<2>,2|C<4>,2|H<1>}	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:2:4:4:	3:2:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:S[6]-2:C-4:C-4:	N[6]-3:N[6]-2:S-1:	N[6](C[6]S[6]CC)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]S[6]CC)(C[6]N[6]S)(H){1|C<3>}	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2{1|N<2>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<2>,2|C<4>}	123.7375	0.906	2	123.7375	0.820	2	123.7375	0.820	2	123.7375	0.820	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:2:2:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:O-2:	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>}	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|C<3>,3|H<1>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){4|C<3>,4|H<1>}	118.7680	0.297	2	118.7680	0.088	2	118.7680	0.088	2	118.7680	0.088	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(CClNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	118.0170	0.000	1	118.0170	0.000	1	116.3757	2.152	3	116.3757	2.152	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(CN3)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CN3){1|N<3>,4|H<1>}	115.5550	0.513	2	115.5550	0.264	2	116.3757	2.152	3	116.3757	2.152	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){2|C<3>,2|H<1>}	124.7550	0.000	1	124.7550	0.000	1	124.7550	0.000	1	124.1238	0.204	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]HH)(C[6]N[6]S)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]N[6]HH)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|N<3>,4|H<1>}	123.9660	0.325	4	123.9660	0.106	4	123.9660	0.106	4	124.1238	0.204	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]HH)(C[6]N[6]N)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(H){3|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(NN){1|N<3>,4|H<1>}	122.3172	0.808	5	122.3172	0.652	5	122.3172	0.652	5	122.3172	0.652	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(CNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)2(CNN){1|N<3>,4|H<1>}	121.1977	0.727	4	121.1977	0.529	4	120.8628	3.973	8	120.8628	3.973	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	C[6](N[6]C[6]H)2(CNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)2(CNN){1|N<3>,4|H<1>}	122.7260	2.438	2	122.7260	5.944	2	120.8628	3.973	8	120.8628	3.973	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(H)2	C[6](N[6]C[6]H)2(CNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(H)2{1|N<3>,2|C<3>}	C[6](N[6]C[6]H)2(CNN){1|C<3>,1|N<3>,2|H<1>}	118.3295	0.238	2	118.3295	0.057	2	120.8628	3.973	8	120.8628	3.973	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	125.2280	0.000	1	124.3395	1.579	2	125.6774	1.016	25	125.6774	1.016	25	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|Mo<12>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|Mo<12>,1|C<3>,2|H<1>}	123.4510	0.000	1	124.3395	1.579	2	125.6774	1.016	25	125.6774	1.016	25	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	125.9518	0.546	22	125.9518	0.298	22	125.6774	1.016	25	125.6774	1.016	25	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	122.3160	0.000	1	122.3160	0.000	1	125.6774	1.016	25	125.6774	1.016	25	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H){3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.1025	0.365	6	118.1025	0.134	6	118.1025	0.134	6	118.1025	0.134	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-2:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	125.0040	1.425	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.8480	0.000	1	125.8480	0.000	1	125.8480	0.000	1	125.0040	1.425	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:2:3:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>}	116.4290	0.000	1	116.4290	0.000	1	116.4290	0.000	1	116.4290	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:2:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-2:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){1|H<1>,3|C<3>}	126.6130	0.240	2	126.6130	0.058	2	126.6130	0.058	2	126.6130	0.058	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:2:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-2:N[6]-3:S-2:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC){1|H<1>,1|N<3>,2|C<3>}	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:C-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC){1|H<1>,3|C<3>}	124.7070	0.000	1	124.7070	0.000	1	124.7070	0.000	1	124.7070	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:4:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-2:N[6]-3:C-4:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	124.2030	0.000	1	124.2030	0.000	1	124.2030	0.000	1	124.2030	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,1|H<1>,2|C<3>}	123.2360	0.000	1	123.2360	0.000	1	123.2360	0.000	1	123.2360	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	119.8650	0.000	1	119.8650	0.000	1	121.4880	5.268	2	122.4903	5.648	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,3|C<3>}	123.1110	0.000	1	123.1110	0.000	1	121.4880	5.268	2	122.4903	5.648	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:N-3:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(O[6]C[6])(NCH)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	124.4950	0.000	1	124.4950	0.000	1	124.4950	0.000	1	122.4903	5.648	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	125.1240	0.000	1	125.1240	0.000	1	124.2855	1.406	2	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	123.4470	0.000	1	123.4470	0.000	1	124.2855	1.406	2	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,1|S<2>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	126.4900	0.771	2	126.4900	0.594	2	125.4177	1.793	4	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	124.6510	0.000	1	124.6510	0.000	1	125.4177	1.793	4	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	124.0400	0.000	1	124.0400	0.000	1	125.4177	1.793	4	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S){1|C<4>,1|H<1>,2|C<3>}	124.8210	0.000	1	124.8210	0.000	1	124.8210	0.000	1	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.5750	0.000	1	121.5750	0.000	1	121.5750	0.000	1	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	126.1160	0.000	1	126.1160	0.000	1	126.1160	0.000	1	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.9370	0.000	1	124.9370	0.000	1	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	126.0880	0.000	1	126.0880	0.000	1	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	122.6760	1.211	2	122.6760	1.465	2	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	125.1113	2.129	3	124.4566	3.631	39	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	124.1348	1.861	28	124.4566	3.631	39	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	126.1410	0.000	1	124.4566	3.631	39	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(O){2|C<3>,2|H<1>}	126.9500	0.000	1	124.4566	3.631	39	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	124.9352	2.037	6	124.4566	3.631	39	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|H<1>,2|C<3>}	123.5080	0.000	1	123.5080	0.000	1	124.4021	3.476	44	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	126.8480	0.000	1	125.0513	1.730	37	125.1642	1.849	40	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	126.3510	0.639	3	125.0513	1.730	37	125.1642	1.849	40	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	125.8320	0.748	2	125.0513	1.730	37	125.1642	1.849	40	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	124.4812	0.825	26	125.0513	1.730	37	125.1642	1.849	40	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	126.2120	1.998	4	125.0513	1.730	37	125.1642	1.849	40	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(S){2|C<3>,2|H<1>}	127.9730	0.000	1	125.0513	1.730	37	125.1642	1.849	40	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|H<1>,3|C<3>}	126.5577	1.334	3	126.5577	1.780	3	125.1642	1.849	40	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>}	120.8900	0.426	2	120.8900	0.181	2	120.8900	0.181	2	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|N<3>,2|C<3>,2|H<1>}	121.5387	0.740	4	121.5387	0.548	4	121.5387	0.548	4	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	122.0000	0.084	3	122.0000	0.007	3	123.3163	1.462	13	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	124.8910	0.000	1	123.7112	1.197	10	123.3163	1.462	13	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	122.8375	0.084	2	123.7112	1.197	10	123.3163	1.462	13	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	123.5470	1.795	3	123.7112	1.197	10	123.3163	1.462	13	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	123.9762	0.590	4	123.7112	1.197	10	123.3163	1.462	13	124.3968	3.229	113	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|Cl<1>,2|H<1>,5|C<3>}	119.7710	0.079	2	120.5613	1.877	3	120.5613	1.877	3	120.5613	1.877	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|O<2>,2|H<1>,5|C<3>}	122.1420	0.000	1	120.5613	1.877	3	120.5613	1.877	3	120.5613	1.877	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){1|H<1>,3|C<3>}	124.9395	0.954	2	125.1090	0.541	3	125.1090	0.541	3	123.6307	4.300	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){1|H<1>,3|C<3>}	125.4480	0.000	1	125.1090	0.541	3	125.1090	0.541	3	123.6307	4.300	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(NC[6a]H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]H)2(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	122.1523	1.911	3	122.1523	3.653	3	122.1523	3.653	3	123.6307	4.300	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.9670	0.547	2	118.9670	0.300	2	118.9670	0.300	2	119.8058	1.165	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	120.2080	0.000	1	120.2080	0.000	1	120.6445	0.381	2	119.8058	1.165	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:C[6]-3:O-1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	121.0810	0.000	1	121.0810	0.000	1	120.6445	0.381	2	119.8058	1.165	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	120.5190	0.000	1	120.5190	0.000	1	120.5190	0.000	1	124.6120	11.799	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){2|C<3>,2|H<1>}	127.5270	0.000	1	127.5270	0.000	1	127.0993	0.266	3	124.6120	11.799	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	126.8855	0.507	2	126.8855	0.257	2	127.0993	0.266	3	124.6120	11.799	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	124.6120	11.799	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC)	C[6](N[6]C[6]H)(N[6]N[6]H)(S)	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC){1|N<3>,1|S<1>,2|H<1>,4|C<3>}	C[6](N[6]C[6]H)(N[6]N[6]H)(S){1|O<2>,2|C<3>}	126.4180	0.000	1	126.4180	0.000	1	126.4180	0.000	1	126.4180	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5a]-3:N[6]-3:C-3:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO)	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H){1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){4|C<3>}	126.1910	0.000	1	126.1910	0.000	1	126.1910	0.000	1	126.1910	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,5|C<3>}	126.6270	0.000	1	126.6270	0.000	1	126.6270	0.000	1	126.6270	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]2C[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6a]2C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H){4|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){2|H<1>,6|C<3>}	122.0250	0.000	1	122.0250	0.000	1	122.0250	0.000	1	122.0250	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	128.3240	0.000	1	128.3240	0.000	1	128.3240	0.000	1	124.2143	9.927	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.8443	1.905	3	122.8443	3.630	3	122.8443	3.630	3	124.2143	9.927	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:2:4:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	125.3030	0.000	1	125.3030	0.000	1	125.3030	0.000	1	125.3030	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	127.4625	0.489	2	127.4625	0.239	2	127.4625	0.239	2	124.2880	3.734	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,2|C<4>}	123.1270	0.000	1	123.1270	0.000	1	123.0360	0.017	2	124.2880	3.734	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,2|C<4>}	122.9450	0.000	1	122.9450	0.000	1	123.0360	0.017	2	124.2880	3.734	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,2|C<4>}	125.7605	0.244	2	125.7605	0.060	2	124.8447	2.546	3	124.2880	3.734	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,2|C<4>,3|C<3>}	123.0130	0.000	1	123.0130	0.000	1	124.8447	2.546	3	124.2880	3.734	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	122.6000	0.000	1	122.6000	0.000	1	122.9093	0.056	4	124.2880	3.734	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|C<2>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	123.0123	0.143	3	123.0123	0.021	3	122.9093	0.056	4	124.2880	3.734	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	127.1810	2.277	2	127.1810	5.184	2	127.1810	5.184	2	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	127.0205	0.073	2	127.0205	0.005	2	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	123.2793	1.999	6	123.5474	3.834	7	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	125.1560	0.000	1	123.5474	3.834	7	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	128.2700	0.098	2	128.2700	0.010	2	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	126.4410	0.000	1	126.1475	0.104	4	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	126.0497	0.313	3	126.1475	0.104	4	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	124.0910	0.000	1	124.0910	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	126.8125	0.361	2	126.8125	0.131	2	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	126.8565	1.061	2	126.8565	1.127	2	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	127.0530	0.000	1	127.0530	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	125.5500	0.803	3	125.6213	0.450	4	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	125.8350	0.000	1	125.6213	0.450	4	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	126.9880	0.000	1	126.9880	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	127.0400	0.000	1	127.0400	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	125.7020	0.000	1	125.7020	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	125.8880	0.000	1	125.8880	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.8290	0.000	1	123.8290	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.2520	0.000	1	123.2520	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	121.7290	0.000	1	121.7290	0.000	1	125.4812	3.635	32	125.5812	3.737	34	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	125.7145	0.681	2	125.7145	0.464	2	125.7145	0.464	2	125.7145	0.464	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	122.9273	0.926	3	122.9273	0.857	3	122.9273	0.857	3	124.0023	5.193	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:2:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CO)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC)	C[6](C[6]N[6]CS)(N[6]C[6]H)(O)	N[6](C[6]C[6]CO)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC){1|O<1>,2|C<4>}	C[6](C[6]N[6]CS)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	127.2270	0.000	1	127.2270	0.000	1	127.2270	0.000	1	124.0023	5.193	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:2:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:C-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO)	C[6](N[6]C[6]H)(N[6]S[6])(NCC)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|S<4>}	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]H)(N[6]S[6])(NCC){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6]C[6]S)(N[6]C[6]H)(O)	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|S<2>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>}	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	123.9605	30.117	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:C-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	127.8410	0.000	1	127.8410	0.000	1	127.8410	0.000	1	123.9605	30.117	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	2:3:3:	C[6]-4:C[6]-3:H-1:	N[5a,6]-3:N[6]-3:C-4:C-4:	N[6]-2:N[6]-3:N-3:	N[6](C[6]N[5a,6]CC)(C[6]N[6]N)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[6]N[5a,6]CC)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,2|C<4>}	123.9525	0.544	2	123.9525	0.296	2	123.9525	0.296	2	123.9525	0.296	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	125.2760	0.000	1	125.2760	0.000	1	125.2760	0.000	1	122.1743	7.218	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:2:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(CH3)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(CH3)2{1|N<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){2|C<4>,2|N<3>}	120.6770	0.000	1	120.6770	0.000	1	120.6235	0.006	2	122.1743	7.218	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:2:3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(CH3)2	C[6](N[6]C[6]H)(N[6]C[6])(NPtH)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(CH3)2{1|N<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NPtH){2|C<4>,2|N<3>}	120.5700	0.000	1	120.5700	0.000	1	120.6235	0.006	2	122.1743	7.218	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:P-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|P<4>,2|C<3>}	125.0120	0.000	1	125.0120	0.000	1	125.0120	0.000	1	125.6152	14.104	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CC)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)2	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6]C[6]CC)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	127.4153	1.261	18	127.4153	1.589	18	127.4153	1.589	18	125.6152	14.104	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]CC)(C[6]C[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6]N[6]CC)(C[6]C[6]S)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.6360	0.000	1	124.6360	0.000	1	124.6360	0.000	1	125.6152	14.104	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:O-1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]CC)(C[6]C[6]H)(O)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	C[6](C[6]C[6a]N[6])(N[6]C[6]O)(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>}	117.9100	0.291	4	117.9100	0.085	4	117.9100	0.085	4	125.6152	14.104	24	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	129.9400	0.000	1	129.9400	0.000	1	129.9400	0.000	1	129.1497	4.110	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CCHH)2	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CCHH)2{1|C<4>,1|O<1>,2|N<2>}	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|C<4>}	130.5800	0.448	4	130.5800	0.200	4	130.5800	0.200	4	129.1497	4.110	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)2	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	129.5690	0.000	1	129.5690	0.000	1	126.8120	15.202	2	129.1497	4.110	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	124.0550	0.000	1	124.0550	0.000	1	126.8120	15.202	2	129.1497	4.110	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:S-1:	N[6](C[6]C[6]CC)(C[6]C[6]S)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	N[6](C[6]C[6]CC)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|S<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	128.5450	0.000	1	128.5450	0.000	1	128.5377	0.165	3	129.1497	4.110	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:S-1:	N[6](C[6]C[6]CC)(C[6]C[6]S)(H)	C[6](C[6]O[6]S)(N[6]C[6]H)(CH3)2	C[6](C[6]O[6]CH)(N[6]C[6]H)(S)	N[6](C[6]C[6]CC)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	C[6](C[6]O[6]S)(N[6]C[6]H)(CH3)2{1|C<4>,1|S<1>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(S){1|C<3>,2|C<4>}	128.5340	0.574	2	128.5340	0.330	2	128.5377	0.165	3	129.1497	4.110	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|N<2>,1|S<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,2|C<3>,2|H<1>}	127.7210	0.000	1	127.7210	0.000	1	127.7210	0.000	1	126.7321	1.334	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|I<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	127.2045	1.310	2	127.2045	1.717	2	126.5909	1.370	7	126.7321	1.334	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	126.1562	1.256	4	126.3454	1.362	5	126.5909	1.370	7	126.7321	1.334	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	127.1020	0.000	1	126.3454	1.362	5	126.5909	1.370	7	126.7321	1.334	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:S[6]-2:N-3:	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NHH)	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	128.2607	0.292	3	128.2607	0.085	3	128.2607	0.085	3	128.2607	0.085	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.9120	0.000	1	125.1672	1.910	12	125.1672	1.910	12	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.5100	0.000	1	125.1672	1.910	12	125.1672	1.910	12	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.5584	1.138	10	125.1672	1.910	12	125.1672	1.910	12	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.1570	0.000	1	124.6090	0.974	3	125.0577	1.324	7	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|O<2>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.7410	0.000	1	124.6090	0.974	3	125.0577	1.324	7	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.9290	0.000	1	124.6090	0.974	3	125.0577	1.324	7	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.5560	0.000	1	124.3250	0.107	2	125.0577	1.324	7	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.0940	0.000	1	124.3250	0.107	2	125.0577	1.324	7	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6]S)(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[6](N[6]C[6]H)(N[6]C[6]S)(S){1|C<3>,1|C<4>,3|H<1>}	126.4635	0.510	2	126.4635	0.260	2	125.0577	1.324	7	125.1268	1.612	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	126.1915	0.466	2	126.1915	0.217	2	126.1915	0.217	2	126.0720	7.075	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.2990	0.000	1	120.2990	0.000	1	120.2990	0.000	1	126.0720	7.075	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	126.8230	0.000	1	126.8230	0.000	1	127.4555	0.407	4	126.0720	7.075	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	128.3420	0.000	1	128.3420	0.000	1	127.4555	0.407	4	126.0720	7.075	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	127.3630	0.000	1	127.3630	0.000	1	127.4555	0.407	4	126.0720	7.075	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	127.2940	0.000	1	127.2940	0.000	1	127.4555	0.407	4	126.0720	7.075	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.5750	0.000	1	125.5750	0.000	1	125.5750	0.000	1	125.5750	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:3:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	126.9510	0.297	2	126.9510	0.088	2	126.9510	0.088	2	126.9510	0.088	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:4:3:4:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC){2|C<3>,2|C<4>}	123.5195	0.407	2	123.5195	0.165	2	123.5195	0.165	2	123.5195	0.165	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){2|C<4>,3|H<1>}	128.1720	0.000	1	128.3110	0.039	2	128.3110	0.039	2	127.2287	3.534	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	128.4500	0.000	1	128.3110	0.039	2	128.3110	0.039	2	127.2287	3.534	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	125.0640	0.000	1	125.0640	0.000	1	125.0640	0.000	1	127.2287	3.534	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	2:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]O[6]N)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6]HH)(C[6]O[6]N)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	125.4790	0.000	1	125.4790	0.000	1	125.4790	0.000	1	127.5836	3.108	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	2:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	S[6]-2:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	C[6](S[6]C[6,6])(N[6]C[6]H)(NC)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|C<4>}	C[6](S[6]C[6,6])(N[6]C[6]H)(NC){2|H<1>,3|C<4>}	126.7300	0.000	1	126.7300	0.000	1	128.1098	2.299	4	127.5836	3.108	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	2:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	S[6]-2:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|C<4>}	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	128.5697	1.476	3	128.5697	2.179	3	128.1098	2.299	4	127.5836	3.108	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	126.6470	0.000	1	126.6470	0.000	1	126.6580	0.337	5	126.6580	0.337	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,4|H<1>}	127.3480	0.000	1	127.3480	0.000	1	126.6580	0.337	5	126.6580	0.337	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	127.1150	0.000	1	127.1150	0.000	1	126.6580	0.337	5	126.6580	0.337	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	126.0900	0.129	2	126.0900	0.017	2	126.6580	0.337	5	126.6580	0.337	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]HH)(C[6]N[6]N)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]HH)(C[6]N[6]N)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|H<1>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,4|H<1>}	122.8740	0.000	1	122.8740	0.000	1	122.8740	0.000	1	125.5960	14.819	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S[6]-2:N-2:	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)(S[6]C[6])(NC)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC){1|C<4>,4|H<1>}	128.3180	0.000	1	128.3180	0.000	1	128.3180	0.000	1	125.5960	14.819	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S[6]-2:N-3:	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H){1|C<4>,4|H<1>}	125.4627	1.084	3	125.4627	1.175	3	125.4627	1.175	3	125.4627	1.175	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	123.4070	0.000	1	123.4070	0.000	1	123.0982	0.098	4	123.3996	0.371	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	123.3230	0.000	1	122.9953	0.083	3	123.0982	0.098	4	123.3996	0.371	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	122.8315	0.073	2	122.9953	0.083	3	123.0982	0.098	4	123.3996	0.371	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,4|H<1>}	122.6675	0.309	2	122.6675	0.095	2	122.6675	0.095	2	123.3996	0.371	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	123.7070	0.000	1	123.7070	0.000	1	123.5995	0.023	2	123.3996	0.371	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,4|H<1>}	123.4920	0.000	1	123.4920	0.000	1	123.5995	0.023	2	123.3996	0.371	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|O<1>,2|H<1>}	124.1563	0.174	3	124.1563	0.030	3	124.1563	0.030	3	123.3996	0.371	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(SCo)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](N[6]C[6]H)2(SCo){1|C<4>,4|H<1>}	123.7765	0.235	4	123.7765	0.055	4	123.2518	1.595	13	123.2518	1.595	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(SCu)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](N[6]C[6]H)2(SCu){1|C<4>,4|H<1>}	124.7160	0.420	2	124.7160	0.176	2	123.2518	1.595	13	123.2518	1.595	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(SS)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6](N[6]C[6]H)2(SS){1|C<4>,4|H<1>}	122.5336	1.278	7	122.5336	1.632	7	123.2518	1.595	13	123.2518	1.595	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6,6]HH)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6,6]HH)(C[6]N[6]N)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2{2|N<3>,5|C<4>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){2|H<1>,3|C<4>}	124.6840	0.000	1	124.6840	0.000	1	124.6840	0.000	1	122.7458	1.062	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC){1|C<4>,4|H<1>}	122.6155	0.534	2	122.6155	0.285	2	122.3582	0.200	5	122.7458	1.062	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP){1|C<4>,4|H<1>}	122.1867	0.385	3	122.1867	0.148	3	122.3582	0.200	5	122.7458	1.062	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	122.0810	0.000	1	122.0810	0.000	1	122.0810	0.000	1	122.4390	5.229	39	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	122.0214	2.693	25	122.0214	7.254	25	122.4484	5.367	38	122.4390	5.229	39	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP){1|C<4>,4|H<1>}	124.7820	0.470	2	124.7820	0.220	2	122.4484	5.367	38	122.4390	5.229	39	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(CCCO)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)2(CCCO){1|C<4>,4|H<1>}	123.0870	1.131	2	123.0870	1.280	2	122.4484	5.367	38	122.4390	5.229	39	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)2(CCHH){1|C<4>,4|H<1>}	122.7240	0.746	6	122.7240	0.556	6	122.4484	5.367	38	122.4390	5.229	39	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](N[6]C[6]H)2(CH3)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,3|H<1>}	123.4750	0.401	3	123.4750	0.160	3	122.4484	5.367	38	122.4390	5.229	39	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O){1|C<4>,2|O<2>,5|H<1>}	125.5010	0.000	1	125.5010	0.000	1	125.5010	0.000	1	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	125.1120	0.000	1	125.1120	0.000	1	125.1120	0.000	1	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	125.8460	0.000	1	125.8460	0.000	1	126.5013	0.775	3	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){2|C<4>,6|H<1>}	127.5020	0.000	1	127.5020	0.000	1	126.5013	0.775	3	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	126.1560	0.000	1	126.1560	0.000	1	126.5013	0.775	3	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	126.9840	0.000	1	126.9840	0.000	1	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	126.5510	0.054	2	126.5510	0.003	2	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	126.8282	0.582	5	126.8282	0.339	5	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	126.9345	0.190	2	126.9345	0.036	2	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	126.6481	0.460	15	126.6481	0.212	15	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	126.8465	0.202	2	126.8465	0.041	2	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	126.7540	0.000	1	126.7540	0.000	1	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	124.9300	0.000	1	124.9300	0.000	1	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	125.6690	0.000	1	125.6690	0.000	1	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){2|H<1>,3|C<4>}	124.9640	0.000	1	124.9640	0.000	1	126.5751	0.384	31	126.4985	0.462	36	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH){1|C<4>,4|H<1>}	126.7110	0.000	1	126.7110	0.000	1	126.7110	0.000	1	125.3480	1.843	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2	C[6](C[6]C[6]HW)(N[6]C[6]H)(NCC)	N[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|W<7>}	C[6](C[6]C[6]HW)(N[6]C[6]H)(NCC){1|C<4>,3|H<1>}	123.9960	0.000	1	123.9960	0.000	1	123.9960	0.000	1	125.3480	1.843	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH)	N[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH){1|C<4>,4|H<1>}	125.3370	0.000	1	125.3370	0.000	1	125.3370	0.000	1	125.3480	1.843	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)	N[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO){1|C<4>,1|O<2>,3|H<1>}	123.6820	0.000	1	123.6820	0.000	1	123.6820	0.000	1	123.6820	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HO)(C[6]N[6]O)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]HO)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.9640	0.000	1	121.9640	0.000	1	121.9640	0.000	1	121.9640	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H){2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	129.0400	0.000	1	129.0400	0.000	1	129.0400	0.000	1	129.0400	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	124.4530	0.000	1	124.4530	0.000	1	124.4530	0.000	1	124.4530	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){2|C<4>,4|C<3>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,4|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	124.5555	1.815	2	124.5555	3.295	2	124.5555	3.295	2	123.9002	2.196	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,3|N<3>,4|C<3>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.8270	2.000	2	124.8270	3.999	2	124.8270	3.999	2	123.9002	2.196	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	125.3050	0.000	1	125.3050	0.000	1	125.3050	0.000	1	123.9002	2.196	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	122.7152	1.636	4	122.7152	2.677	4	122.7152	2.677	4	123.9002	2.196	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	123.9660	0.744	2	123.9660	0.553	2	123.9660	0.553	2	123.9002	2.196	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|C<3>,2|H<1>}	123.9195	0.545	2	123.9195	0.297	2	123.9195	0.297	2	123.9002	2.196	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	C[6](N[6]C[6]H)2(CH3)	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,3|H<1>}	121.9690	0.445	3	121.9690	0.198	3	121.9690	0.198	3	121.9690	0.198	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	127.0885	0.006	2	127.0885	0.000	2	127.0885	0.000	2	125.0435	13.811	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]H)(O){2|H<1>,3|C<3>,3|C<4>}	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	125.0435	13.811	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	126.5130	0.000	1	126.5130	0.000	1	126.5130	0.000	1	125.0435	13.811	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H)	C[6](O[6]C[6,6])(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(N[6]C[6]H)(O){1|H<1>,4|C<4>}	126.9530	0.286	2	126.9530	0.082	2	126.9530	0.082	2	126.9530	0.082	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	127.5670	1.004	2	127.5670	1.008	2	126.7292	3.401	8	126.7292	3.401	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	128.8300	0.000	1	128.8300	0.000	1	126.7292	3.401	8	126.7292	3.401	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	127.0070	0.000	1	127.0070	0.000	1	126.7292	3.401	8	126.7292	3.401	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	126.7680	0.000	1	126.7680	0.000	1	126.7292	3.401	8	126.7292	3.401	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|O<2>,2|O<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	124.0160	0.631	2	124.0160	0.398	2	126.7292	3.401	8	126.7292	3.401	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	128.0630	0.000	1	128.0630	0.000	1	126.7292	3.401	8	126.7292	3.401	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	123.3300	0.000	1	123.3300	0.000	1	123.3300	0.000	1	123.3300	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	N[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	122.8650	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	129.3170	0.000	1	129.3170	0.000	1	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	127.4890	0.000	1	127.4890	0.000	1	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	125.5645	0.120	2	126.2335	1.318	4	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	126.9025	1.466	2	126.2335	1.318	4	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	126.8070	0.000	1	126.8070	0.000	1	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	127.2230	0.982	3	127.2230	0.965	3	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	126.9035	0.255	2	126.9035	0.065	2	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	128.6860	0.000	1	128.6860	0.000	1	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	126.8280	0.530	2	126.8280	0.281	2	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	127.6360	0.000	1	127.6360	0.000	1	127.1251	1.163	16	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]P[6]CH)(C[6]C[6]O)(H)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]P[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|P<4>}	123.3350	0.000	1	123.3350	0.000	1	123.3350	0.000	1	126.9021	1.935	17	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N[6]-3:	N[6](C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H)	N[6](C[6]C[6]CH)(C[6]C[6]2)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	127.9000	0.000	1	127.9000	0.000	1	127.9000	0.000	1	127.9000	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.6360	1.811	10	122.6360	3.281	10	122.6360	3.281	10	123.2774	2.863	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.1747	0.924	3	124.1747	0.853	3	124.3465	0.488	6	123.2774	2.863	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.0220	0.000	1	124.0220	0.000	1	124.3465	0.488	6	123.2774	2.863	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH){1|C<4>,1|N<3>,1|O<2>,1|S<1>}	C[6](N[6]C[6]H)2(S){2|O<2>,3|C<4>}	124.7665	0.435	2	124.7665	0.189	2	124.3465	0.488	6	123.2774	2.863	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:3:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:C-3:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CC)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CC)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	128.3290	0.000	1	128.3290	0.000	1	128.3290	0.000	1	128.3290	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	124.0680	0.000	1	124.0680	0.000	1	124.0680	0.000	1	124.0680	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:4:	4:3:4:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:C-4:	N[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	125.2680	1.639	2	125.2680	2.687	2	125.2680	2.687	2	125.2680	2.687	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){2|O<1>,4|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	127.4980	0.000	1	127.7125	0.092	2	127.7125	0.092	2	127.7125	0.092	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>}	127.9270	0.000	1	127.7125	0.092	2	127.7125	0.092	2	127.7125	0.092	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:N-2:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO)	C[6](N[6]C[6]N)2(H)2	C[6](N[6]C[6]N)(N[6]C[6])(CClNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO){1|C<4>,1|N<3>}	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC)	C[6](C[6]N[6]C)(N[6]C[6]N)(H)2	C[6](N[6]C[6]N)(N[6]N[6]H)(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]N)(H)2{1|N<3>,1|O<1>}	C[6](N[6]C[6]N)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	123.5050	0.215	2	123.5050	0.046	2	123.5050	0.046	2	123.5050	0.046	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	120.9080	0.000	1	120.9080	0.000	1	120.9080	0.000	1	119.3800	4.670	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	119.3800	4.670	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H)	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	129.2000	0.000	1	129.2000	0.000	1	129.2000	0.000	1	127.6940	2.810	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	125.8880	0.000	1	125.8880	0.000	1	126.9410	2.218	2	127.6940	2.810	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H)	C[6](C[6]O[6]CH)(N[6]C[6]O)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	127.9940	0.000	1	127.9940	0.000	1	126.9410	2.218	2	127.6940	2.810	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-2:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	125.6290	0.000	1	125.6290	0.000	1	125.6290	0.000	1	123.7335	7.186	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O){1|C<3>,2|C<4>,2|H<1>}	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	123.7335	7.186	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){2|C<4>,3|H<1>}	130.4230	0.000	1	130.4230	0.000	1	130.4230	0.000	1	130.4230	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){2|H<1>,4|C<3>}	119.6745	0.667	4	119.6745	0.445	4	119.6745	0.445	4	121.6384	2.466	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){2|H<1>,4|C<3>}	122.2930	1.171	12	122.2930	1.372	12	122.2930	1.372	12	121.6384	2.466	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:N-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	C[6](N[6]C[6]N)2(H)2	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:B[5]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H){1|B<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H){2|C<3>,2|H<1>,4|O<2>}	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	121.1175	9.397	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	121.1175	9.397	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	120.3865	2.713	2	120.3865	7.361	2	120.3865	7.361	2	121.1175	9.397	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){2|H<1>,4|C<3>}	123.0420	2.391	2	123.0420	5.719	2	123.0420	5.719	2	121.1175	9.397	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	114.9060	0.000	1	114.9060	0.000	1	114.4373	0.608	3	114.4373	0.608	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	113.5370	0.000	1	113.5370	0.000	1	114.4373	0.608	3	114.4373	0.608	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	114.8690	0.000	1	114.8690	0.000	1	114.4373	0.608	3	114.4373	0.608	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(Cl)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(Cl)(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.9025	0.278	2	123.9025	0.077	2	123.9025	0.077	2	123.9025	0.077	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]N)(O){1|C<3>,3|H<1>}	125.8930	0.000	1	125.8930	0.000	1	125.2570	0.347	3	123.2012	8.126	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|N<3>,2|H<1>}	124.7300	0.000	1	124.9390	0.087	2	125.2570	0.347	3	123.2012	8.126	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|C<4>,2|H<1>}	125.1480	0.000	1	124.9390	0.087	2	125.2570	0.347	3	123.2012	8.126	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O){2|H<1>,4|C<3>}	120.1175	0.336	2	120.1175	0.113	2	120.1175	0.113	2	123.2012	8.126	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	4:3:2:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS){2|H<1>,4|C<3>}	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	120.3390	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>}	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1	121.5543	4.553	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<2>,2|H<1>,5|C<3>}	121.1360	0.000	1	122.2139	0.729	8	122.2139	0.729	8	121.5543	4.553	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	122.2680	0.000	1	122.2139	0.729	8	122.2139	0.729	8	121.5543	4.553	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<2>,2|H<1>,5|C<3>}	122.3845	0.868	6	122.2139	0.729	8	122.2139	0.729	8	121.5543	4.553	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-2:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<2>,3|H<1>,6|C<3>}	116.7715	0.747	2	116.7715	0.559	2	116.7715	0.559	2	116.7715	0.559	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH){1|H<1>,1|N<2>,4|C<3>}	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	114.3860	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<3>,3|H<1>}	124.6178	2.020	4	124.6178	4.080	4	124.6178	4.080	4	124.6178	4.080	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<2>,4|C<3>}	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	116.3205	6.908	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|S<2>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,5|C<3>}	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	116.3205	6.908	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	124.2167	0.600	3	124.2167	0.360	3	124.2167	0.360	3	123.6420	1.561	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){1|H<1>,1|N<3>,4|C<3>}	121.9180	0.000	1	121.9180	0.000	1	121.9180	0.000	1	123.6420	1.561	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:B-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){2|C<3>,2|H<1>}	115.9760	0.000	1	115.9760	0.000	1	115.9760	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	120.2200	0.409	2	120.2200	0.167	2	120.2200	0.167	2	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,3|C<3>}	121.6040	0.000	1	121.6040	0.000	1	119.3525	10.139	2	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,3|C<3>}	117.1010	0.000	1	117.1010	0.000	1	119.3525	10.139	2	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	117.6190	0.000	1	117.6190	0.000	1	117.6190	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	120.3040	0.000	1	120.3040	0.000	1	118.3440	7.683	2	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	116.3840	0.000	1	116.3840	0.000	1	118.3440	7.683	2	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|H<1>,2|C<3>}	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	115.2570	0.677	2	115.2570	0.459	2	115.2570	0.459	2	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	119.5490	0.000	1	119.5490	0.000	1	119.5490	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[5a]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2){2|H<1>,6|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	123.8030	0.000	1	123.8030	0.000	1	123.8030	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	120.5090	0.000	1	120.5090	0.000	1	120.5090	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:S[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<3>,2|H<1>,5|C<3>}	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	131.6810	0.000	1	131.6810	0.000	1	131.6810	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(O){2|H<1>,6|C<3>}	126.4760	0.000	1	126.4760	0.000	1	126.4760	0.000	1	119.9579	15.932	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,7|C<3>}	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	117.4243	0.616	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,6|C<3>}	117.6780	0.919	2	117.6780	0.845	2	117.6780	0.845	2	117.4243	0.616	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){4|H<1>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	116.3320	0.000	1	116.3320	0.000	1	116.3320	0.000	1	116.3002	1.766	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	115.9520	0.000	1	115.9520	0.000	1	115.9520	0.000	1	116.3002	1.766	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|H<1>,5|C<3>}	115.2440	0.000	1	115.2440	0.000	1	115.2440	0.000	1	116.3002	1.766	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	116.3002	1.766	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,8|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	120.4590	0.000	1	119.2960	2.705	2	119.2960	2.705	2	116.3002	1.766	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	118.1330	0.000	1	119.2960	2.705	2	119.2960	2.705	2	116.3002	1.766	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|N<3>,3|C<3>,3|H<1>}	116.0760	0.726	13	116.0760	0.527	13	116.0760	0.527	13	116.3002	1.766	19	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|Cr<6>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H){1|H<1>,2|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.1550	0.000	1	113.1550	0.000	1	113.1550	0.000	1	113.1550	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	B[6,6]-3:N[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H){2|H<1>,2|O<1>,4|C<3>,5|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.8850	0.296	2	120.8850	0.087	2	120.8850	0.087	2	123.9931	12.160	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:S[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<3>,3|C<3>,3|H<1>}	126.4310	0.000	1	126.4310	0.000	1	127.7583	1.540	3	123.9931	12.160	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:S[6]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O){1|S<3>,3|C<3>,3|H<1>}	128.4220	0.662	2	128.4220	0.438	2	127.7583	1.540	3	123.9931	12.160	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:B[5]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)(H){2|O<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.9160	0.106	2	120.9160	0.011	2	120.9160	0.011	2	123.9931	12.160	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,4|C<3>}	125.0680	0.000	1	125.0680	0.000	1	125.0680	0.000	1	123.9931	12.160	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:S-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	124.5060	1.400	3	124.5060	1.961	3	124.5060	1.961	3	124.5060	1.961	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,3|C<3>}	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	120.0690	2.163	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|O<2>,5|C<3>}	119.2425	0.476	2	119.2425	0.226	2	119.2425	0.226	2	120.0690	2.163	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){6|C<3>}	117.7215	1.660	2	117.7215	2.754	2	117.7215	2.754	2	117.7215	2.754	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:B[5]-3:B[5]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>,4|O<2>}	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)2{2|O<1>,4|C<3>,5|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|B<3>,2|C<3>}	122.3060	0.450	2	122.3060	0.202	2	122.3060	0.202	2	122.3060	0.202	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,4|C<3>}	125.6940	0.000	1	125.6940	0.000	1	125.6940	0.000	1	125.6940	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:2:2:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:S[6]-2:N-2:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N){4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,4|C<3>}	125.3320	0.000	1	125.3320	0.000	1	125.3320	0.000	1	125.3320	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	116.8440	0.000	1	116.8440	0.000	1	116.9435	0.020	2	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	117.0430	0.000	1	117.0430	0.000	1	116.9435	0.020	2	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	121.0460	0.000	1	121.0460	0.000	1	116.7252	6.025	5	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	115.2930	0.000	1	115.2930	0.000	1	116.7252	6.025	5	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	115.6210	0.000	1	115.6210	0.000	1	116.7252	6.025	5	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	115.3000	0.000	1	115.3000	0.000	1	116.7252	6.025	5	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	116.3660	0.000	1	116.3660	0.000	1	116.7252	6.025	5	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.0450	0.000	1	116.0450	0.000	1	116.8426	0.908	5	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.4160	0.761	3	117.4160	0.580	3	116.8426	0.908	5	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	115.9200	0.000	1	115.9200	0.000	1	116.8426	0.908	5	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){1|C<4>,1|H<1>,2|C<3>}	119.8070	0.000	1	119.8070	0.000	1	119.8070	0.000	1	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	119.1185	1.265	2	119.1185	1.600	2	119.1185	1.600	2	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|C<4>,1|H<1>,4|C<3>}	121.4520	1.161	3	121.4520	1.348	3	121.4520	1.348	3	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,4|C<3>}	119.3330	0.369	2	119.3330	0.136	2	119.3330	0.136	2	118.1019	4.726	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,3|H<1>,6|C<3>}	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	115.6520	0.000	1	115.6520	0.000	1	115.6520	0.000	1	116.2213	2.550	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C[6a]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	116.2213	2.550	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	118.0250	0.000	1	118.0250	0.000	1	118.0250	0.000	1	116.2213	2.550	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-4:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,4|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.0340	0.000	1	120.0340	0.000	1	120.0340	0.000	1	120.0340	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	125.6425	0.151	2	125.6450	0.359	4	125.1215	0.882	6	125.1215	0.882	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	124.9210	0.000	1	125.6450	0.359	4	125.1215	0.882	6	125.1215	0.882	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,3|C<3>,3|C<4>}	126.3740	0.000	1	125.6450	0.359	4	125.1215	0.882	6	125.1215	0.882	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	124.2250	0.000	1	124.0745	0.045	2	125.1215	0.882	6	125.1215	0.882	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<4>,5|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	123.9240	0.000	1	124.0745	0.045	2	125.1215	0.882	6	125.1215	0.882	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,2|C<3>}	116.1080	0.000	1	116.1080	0.000	1	116.1080	0.000	1	116.1080	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	120.0760	0.000	1	120.0760	0.000	1	120.0760	0.000	1	120.0760	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:4:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]N)(CH3)2	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]N)(CH3)2{1|C<4>,1|O<1>,2|N<2>}	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O){1|C<3>,1|N<2>,2|C<4>}	129.1300	0.000	1	129.1300	0.000	1	129.1300	0.000	1	129.1300	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:1:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:Cl-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,7|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	123.9820	0.000	1	123.9820	0.000	1	123.9820	0.000	1	123.9820	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[6](N[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:B[5]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H)	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	116.4165	0.807	2	116.4165	0.651	2	116.4165	0.651	2	118.0639	8.825	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:B[5a]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	114.2813	0.166	3	114.2813	0.028	3	114.2813	0.028	3	118.0639	8.825	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.6450	0.000	1	119.6450	0.000	1	119.4335	1.511	4	118.0639	8.825	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.3630	1.496	3	119.3630	2.237	3	119.4335	1.511	4	118.0639	8.825	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	118.0639	8.825	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.0650	0.000	1	122.0650	0.000	1	121.6755	0.303	2	118.0639	8.825	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	121.2860	0.000	1	121.2860	0.000	1	121.6755	0.303	2	118.0639	8.825	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	N[6]-3:C[3]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H)	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	118.0639	8.825	13	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	119.1180	0.072	2	119.1180	0.005	2	119.1180	0.005	2	119.1180	0.005	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	124.8800	0.000	1	124.8800	0.000	1	124.8800	0.000	1	124.8800	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[5]-4:C[6]-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|Fe<10>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	123.3470	0.512	3	123.3470	0.262	3	123.3470	0.262	3	123.3470	0.262	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|O<1>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	119.4000	0.000	1	119.4000	0.000	1	119.4000	0.000	1	123.3205	30.741	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S[6]-2:S-1:	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](N[6]C[6]N)(S[6]C[6])(S)	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|S<1>,1|S<2>,2|H<1>}	C[6](N[6]C[6]N)(S[6]C[6])(S){1|C<4>,4|H<1>}	127.2410	0.000	1	127.2410	0.000	1	127.2410	0.000	1	123.3205	30.741	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:N-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(NOO)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](N[6]C[6]N)(N[6]C[6])(CN3)	N[6](C[6]C[6]HH)(C[6]N[6]C)(NOO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(CN3){1|C<4>,4|H<1>}	119.7525	0.344	2	119.7525	0.119	2	119.7525	0.119	2	119.7525	0.119	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|Si<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	118.3768	17.616	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	118.3768	17.616	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,4|H<1>}	119.2610	0.000	1	119.2610	0.000	1	119.2610	0.000	1	118.3768	17.616	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]C)2(S){1|C<4>,4|H<1>}	123.8610	0.000	1	123.8610	0.000	1	123.8610	0.000	1	118.3768	17.616	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]O[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]O[6]H)(N[6]C[6]2)(H){1|C<4>,2|H<1>,2|N<2>}	112.3440	0.000	1	112.3440	0.000	1	112.3440	0.000	1	118.3768	17.616	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]N[6]H)(N[6]C[6]C)(COO)	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(COO){2|C<4>,2|H<1>}	112.9700	0.000	1	112.9700	0.000	1	112.9700	0.000	1	114.9027	16.282	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Al)(N[6]C[6]C)(NAlC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCN){1|Al<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]Al)(N[6]C[6]C)(NAlC){1|C<4>,4|H<1>}	112.8510	0.505	2	112.8510	0.255	2	115.5470	21.933	3	114.9027	16.282	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	120.9390	0.000	1	120.9390	0.000	1	115.5470	21.933	3	114.9027	16.282	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(CCHH){1|C<4>,4|H<1>}	119.3630	0.264	2	119.3630	0.070	2	119.3630	0.070	2	119.3630	0.070	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6530	0.000	1	118.6530	0.000	1	118.6530	0.000	1	120.3888	1.353	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O){1|C<4>,2|C<3>,2|H<1>}	120.8830	0.027	2	120.8830	0.001	2	120.9673	0.022	3	120.3888	1.353	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	121.1360	0.000	1	121.1360	0.000	1	120.9673	0.022	3	120.3888	1.353	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2{2|O<1>,3|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	119.4920	1.247	2	119.4920	1.556	2	119.4920	1.556	2	122.0160	7.543	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	121.2370	0.000	1	121.2370	0.000	1	121.2370	0.000	1	122.0160	7.543	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	122.7650	0.000	1	122.7650	0.000	1	122.5785	0.070	2	122.0160	7.543	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	122.3920	0.000	1	122.3920	0.000	1	122.5785	0.070	2	122.0160	7.543	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:N-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	122.0160	7.543	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	118.0640	0.000	1	118.0640	0.000	1	118.0755	0.000	2	118.0755	0.000	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	118.0870	0.000	1	118.0870	0.000	1	118.0755	0.000	2	118.0755	0.000	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:C[6]-3:S-3:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3)	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	116.1620	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<4>,3|H<1>}	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	117.5840	0.000	1	117.5840	0.000	1	118.1390	0.616	2	120.5482	5.137	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	118.6940	0.000	1	118.6940	0.000	1	118.1390	0.616	2	120.5482	5.137	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:N[6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	119.5800	0.000	1	119.5800	0.000	1	119.5800	0.000	1	120.5482	5.137	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	122.0035	0.134	2	122.0035	0.018	2	122.0035	0.018	2	120.5482	5.137	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|F<1>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	123.4240	0.000	1	123.4240	0.000	1	123.4240	0.000	1	120.5482	5.137	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,4|C<3>}	125.6850	0.000	1	125.6850	0.000	1	125.6850	0.000	1	125.1126	0.914	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:C-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O)	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	125.2880	0.000	1	125.2880	0.000	1	125.2880	0.000	1	125.1126	0.914	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O){1|C<4>,1|H<1>,4|C<3>}	124.8633	1.247	3	124.8633	1.555	3	124.8633	1.555	3	125.1126	0.914	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	120.8160	0.000	1	120.8160	0.000	1	120.9560	0.039	2	120.9560	0.039	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	121.0960	0.000	1	121.0960	0.000	1	120.9560	0.039	2	120.9560	0.039	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	2:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:N[6]-3:C-4:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	C[6](O[6]C[5,6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[5,6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|H<1>,4|C<4>}	120.5523	0.175	3	120.5523	0.031	3	120.5523	0.031	3	120.5523	0.031	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|W<7>,2|C<4>,2|H<1>}	117.2317	1.278	3	117.2317	1.635	3	118.0203	2.142	6	118.7648	2.376	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	118.3685	1.596	2	118.3685	2.547	2	118.0203	2.142	6	118.7648	2.376	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C[6](C[6]C[6]Si)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Si)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	119.6900	0.000	1	119.6900	0.000	1	118.0203	2.142	6	118.7648	2.376	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	119.0400	0.000	1	119.0400	0.000	1	119.8815	0.785	4	118.7648	2.376	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	119.6855	0.218	2	119.6855	0.048	2	119.8815	0.785	4	118.7648	2.376	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	121.1150	0.000	1	121.1150	0.000	1	119.8815	0.785	4	118.7648	2.376	10	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	124.4500	0.000	1	124.4500	0.000	1	124.4500	0.000	1	124.4500	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO){4|C<4>,4|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,3|C<4>,4|H<1>}	117.8880	0.000	1	117.8880	0.000	1	117.8880	0.000	1	117.8880	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	2:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	O[6]-2:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH)	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H)	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<4>}	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	119.7140	0.489	2	119.7140	0.239	2	119.7140	0.239	2	119.7140	0.239	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C[6](N[6]C[6]C)2(O)	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)2(O){1|O<2>,4|H<1>}	122.5700	0.000	1	122.5700	0.000	1	121.7075	1.488	2	121.7075	1.488	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C[6](N[6]C[6]C)2(O)	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)2(O){1|O<2>,4|H<1>}	120.8450	0.000	1	120.8450	0.000	1	121.7075	1.488	2	121.7075	1.488	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C[6](N[6]C[6]C)2(NN)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	116.5870	0.000	1	116.5870	0.000	1	119.7057	8.299	8	119.7057	8.299	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C[6](N[6]C[6]C)2(NN)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	123.1190	0.000	1	123.1190	0.000	1	119.7057	8.299	8	119.7057	8.299	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C[6](N[6]C[6]C)2(NN)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	117.0360	1.496	2	117.0360	2.239	2	119.7057	8.299	8	119.7057	8.299	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:2:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:O[6]-2:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]C)(O[6]C[6])(H)2	C[6](N[6]C[6]C)2(NN)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3){2|C<4>}	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	120.9670	2.149	4	120.9670	4.620	4	119.7057	8.299	8	119.7057	8.299	8	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:N[6]-2:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	120.6510	0.000	1	120.6510	0.000	1	120.6510	0.000	1	120.6510	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:2:4:4:	4:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:N[6]-3:H-1:	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2	C[6](C[6]C[6]TaN)(N[6]C[6]C)(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|Ta<12>,1|C<4>,1|N<3>}	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2{1|Ta<12>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]TaN)(N[6]C[6]C)(H){1|C<5>,1|N<2>,2|C<4>}	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	2:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){2|C<3>,2|H<1>}	124.9725	0.856	2	124.9725	0.733	2	125.5470	1.357	3	124.6448	4.161	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	2:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){2|C<3>,2|H<1>}	126.6960	0.000	1	126.6960	0.000	1	125.5470	1.357	3	124.6448	4.161	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	2:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	S[6]-2:N[6]-3:S-1:	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](S[6]C[6,6a])(N[6]C[6]C)(S)	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[6](S[6]C[6,6a])(N[6]C[6]C)(S){2|C<3>,2|H<1>}	121.9380	0.000	1	121.9380	0.000	1	121.9380	0.000	1	124.6448	4.161	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:S[6]-2:S-1:	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)(S[6]C[6])(S)	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH){2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|S<1>,1|S<2>,2|H<1>}	C[6](N[6]C[6]C)(S[6]C[6])(S){1|N<3>,4|H<1>}	124.7380	0.000	1	124.7380	0.000	1	124.7380	0.000	1	124.7380	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6](N[6]C[6,6a]Ru)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,2|H<1>}	120.9640	0.000	1	120.9640	0.000	1	120.9640	0.000	1	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6,6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	116.6600	0.000	1	116.6600	0.000	1	116.6600	0.000	1	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(H)	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H){1|N<3>,4|H<1>}	118.7730	1.426	2	118.7730	2.032	2	118.7730	2.032	2	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)2(O){1|N<3>,4|H<1>}	121.7622	1.549	13	121.7622	2.400	13	121.4430	3.641	14	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|Rh<6>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|Rh<6>,1|N<3>,2|H<1>}	117.2940	0.000	1	117.2940	0.000	1	121.4430	3.641	14	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(S)	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]C)2(S){1|N<3>,4|H<1>}	121.0985	0.483	2	121.0985	0.233	2	120.3447	0.577	6	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|N<3>,4|H<1>}	119.9677	0.562	4	119.9677	0.316	4	120.3447	0.577	6	120.8718	3.759	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(NN){1|N<3>,4|H<1>}	120.4530	0.701	2	120.4530	0.492	2	120.2731	0.919	9	120.2731	0.919	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NN){1|N<3>,4|H<1>}	119.9980	0.000	1	119.9980	0.000	1	120.2731	0.919	9	120.2731	0.919	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NN){1|N<3>,4|H<1>}	119.5520	0.000	1	119.5520	0.000	1	120.2731	0.919	9	120.2731	0.919	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){1|H<1>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(NN){1|N<3>,4|H<1>}	120.2773	1.666	3	120.2773	2.777	3	120.2731	0.919	9	120.2731	0.919	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NN){1|N<3>,4|H<1>}	120.5850	0.670	2	120.5850	0.449	2	120.2731	0.919	9	120.2731	0.919	9	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|N<3>,4|H<1>}	115.4090	0.000	1	115.4090	0.000	1	118.0020	13.447	2	117.8023	6.843	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|N<3>,4|H<1>}	120.5950	0.000	1	120.5950	0.000	1	118.0020	13.447	2	117.8023	6.843	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2	C[6](N[6]B[6]C)(N[6]C[6]C)(NBC)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH){1|B<3>,2|C<4>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2{1|H<1>,2|N<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(NBC){1|N<3>,3|H<1>}	117.4030	0.000	1	117.4030	0.000	1	117.4030	0.000	1	117.8023	6.843	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS)	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS){2|C<3>,2|H<1>}	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	112.7960	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	123.1110	0.000	1	123.1110	0.000	1	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	122.8290	0.000	1	123.3261	3.384	12	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.3713	1.922	11	123.3261	3.384	12	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	123.7210	0.000	1	123.7210	0.000	1	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.4300	0.000	1	123.4300	0.000	1	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	125.0510	0.000	1	123.4577	1.916	3	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	122.6610	0.157	2	123.4577	1.916	3	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.1810	0.147	2	123.1810	0.022	2	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	124.2880	0.000	1	124.2880	0.000	1	123.3904	2.111	21	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	125.3160	0.448	2	125.3160	0.201	2	125.3160	0.201	2	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3)	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2{1|Si<4>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O){1|Si<4>,1|C<3>,2|H<1>}	118.0793	3.254	3	118.0793	10.589	3	118.0793	10.589	3	122.9257	6.001	26	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){2|C<3>,2|H<1>}	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:2:1:	3:3:2:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC){1|H<1>,1|O<2>,2|C<3>}	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1	117.9380	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	122.7460	0.000	1	122.7460	0.000	1	122.7460	0.000	1	123.4605	1.021	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.1750	0.000	1	124.1750	0.000	1	124.1750	0.000	1	123.4605	1.021	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){1|H<1>,3|C<3>}	122.9875	2.063	4	123.5858	4.981	5	123.5858	4.981	5	123.3847	4.227	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){1|H<1>,3|C<3>}	125.9790	0.000	1	123.5858	4.981	5	123.5858	4.981	5	123.3847	4.227	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](O[6]C[6,6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]S)(O){1|H<1>,3|C<3>}	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	123.3847	4.227	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	2:3:3:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	S[6]-2:N[6]-3:C-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH)	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH){1|H<1>,3|C<3>}	117.4740	0.000	1	117.4740	0.000	1	117.4740	0.000	1	117.4740	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	119.0310	0.000	1	119.0310	0.000	1	118.7425	0.166	2	118.7425	0.166	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	118.4540	0.000	1	118.4540	0.000	1	118.7425	0.166	2	118.7425	0.166	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:2:3:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C){3|H<1>,5|C<3>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	118.4540	0.000	1	118.4540	0.000	1	118.4540	0.000	1	120.3594	7.711	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){1|H<1>,3|C<3>}	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	120.3594	7.711	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	121.7690	0.000	1	121.5235	0.121	2	121.5235	0.121	2	120.3594	7.711	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	121.2780	0.000	1	121.5235	0.121	2	121.5235	0.121	2	120.3594	7.711	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO){1|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,4|C<3>}	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	120.3594	7.711	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	119.8350	0.000	1	119.8350	0.000	1	119.8350	0.000	1	120.3594	7.711	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,5|C<3>}	115.3100	0.000	1	115.3100	0.000	1	115.3100	0.000	1	120.3594	7.711	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]){1|S<4>,3|H<1>,4|C<3>}	119.2725	0.767	4	119.2725	0.588	4	119.2725	0.588	4	118.2142	6.041	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:2:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(SC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(SC){1|H<1>,3|C<3>}	113.9810	0.000	1	113.9810	0.000	1	113.9810	0.000	1	118.2142	6.041	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C){1|H<1>,3|C<3>}	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	115.4750	2.677	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6]-3:S-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|H<1>,3|C<3>}	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	115.4750	2.677	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	120.6820	0.000	1	120.6820	0.000	1	121.0627	0.465	3	121.9957	2.646	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	121.8500	0.000	1	121.8500	0.000	1	121.0627	0.465	3	121.9957	2.646	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	120.6560	0.000	1	120.6560	0.000	1	121.0627	0.465	3	121.9957	2.646	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	124.2240	0.402	2	124.2240	0.161	2	124.2240	0.161	2	121.9957	2.646	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.5090	0.000	1	120.5090	0.000	1	120.5090	0.000	1	121.9957	2.646	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	121.9957	2.646	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	119.4510	0.000	1	119.4510	0.000	1	119.7235	0.149	2	119.7235	0.149	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	119.9960	0.000	1	119.9960	0.000	1	119.7235	0.149	2	119.7235	0.149	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:2:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:S-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC)	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC){1|O<1>,2|C<4>}	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>}	124.5270	0.000	1	124.5270	0.000	1	124.5270	0.000	1	124.5270	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:3:	3:2:3:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C){2|H<1>,6|C<3>}	119.0445	0.207	2	119.0445	0.043	2	119.0445	0.043	2	119.0445	0.043	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:N[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,4|C<3>}	124.0510	0.139	2	124.0510	0.019	2	124.0510	0.019	2	124.0510	0.019	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	123.6160	0.377	3	123.6160	0.142	3	123.6160	0.142	3	123.6160	0.142	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	120.5490	0.071	2	120.5490	0.005	2	121.5027	1.215	4	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	122.4565	0.005	2	122.4565	0.000	2	121.5027	1.215	4	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	122.3300	0.000	1	122.3300	0.000	1	122.3719	1.068	7	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	121.7980	0.115	2	121.7980	0.013	2	122.3719	1.068	7	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	122.1853	1.134	3	122.1853	1.287	3	122.3719	1.068	7	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	124.1210	0.000	1	124.1210	0.000	1	122.3719	1.068	7	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.2550	0.000	1	121.2550	0.000	1	119.3413	2.797	3	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	118.6090	0.000	1	118.3845	0.101	2	119.3413	2.797	3	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	118.1600	0.000	1	118.3845	0.101	2	119.3413	2.797	3	121.4741	2.688	14	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(COO)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	119.9380	0.185	2	119.9380	0.034	2	119.9380	0.034	2	118.2767	8.297	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	118.2767	8.297	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:4:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	123.8500	0.307	2	123.8500	0.094	2	123.8500	0.094	2	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.9505	0.610	2	123.9505	0.372	2	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.8430	0.000	1	123.8430	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	124.5650	0.000	1	124.5650	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	125.1580	0.000	1	125.1580	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	123.9800	0.000	1	123.9800	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]HO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	122.4150	0.000	1	122.4150	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	121.2530	0.000	1	121.2530	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	122.9040	0.000	1	122.9040	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	125.6605	0.541	4	125.6605	0.293	4	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	121.0800	0.000	1	121.0800	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	123.5760	0.000	1	123.5760	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	123.9140	0.000	1	123.9140	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	124.5400	0.546	2	124.3564	0.416	11	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	124.3156	0.687	9	124.3564	0.416	11	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	124.1610	0.000	1	124.1610	0.000	1	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	124.5757	0.288	3	124.5757	0.083	3	124.1625	1.329	31	124.1436	1.254	33	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:2:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH)	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	125.0290	0.426	3	125.0290	0.182	3	125.0290	0.182	3	124.7870	0.692	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC)	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	125.8630	0.000	1	125.8630	0.000	1	124.5450	1.371	3	124.7870	0.692	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	123.8860	0.371	2	123.8860	0.137	2	124.5450	1.371	3	124.7870	0.692	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,3|C<4>}	124.8330	0.000	1	124.8330	0.000	1	124.8330	0.000	1	120.6755	34.570	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	120.6755	34.570	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	2:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	123.9690	3.247	2	123.9690	10.543	2	123.9690	10.543	2	123.9690	10.543	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.5320	0.000	1	123.5320	0.000	1	123.0355	0.493	2	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.5390	0.000	1	122.5390	0.000	1	123.0355	0.493	2	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.9285	1.020	2	122.9285	1.041	2	122.6573	0.741	3	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.1150	0.000	1	122.1150	0.000	1	122.6573	0.741	3	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	121.0825	0.206	2	121.0825	0.042	2	121.0825	0.042	2	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	120.2400	0.000	1	120.2400	0.000	1	122.0030	2.998	4	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]Si)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|Si<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]Si)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	121.4010	0.000	1	121.4010	0.000	1	122.0030	2.998	4	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	122.0180	0.000	1	122.0180	0.000	1	122.0030	2.998	4	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|S<2>}	124.3530	0.000	1	124.3530	0.000	1	122.0030	2.998	4	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.7140	1.161	2	122.7140	1.348	2	122.7140	1.348	2	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	114.7690	0.000	1	114.7690	0.000	1	114.7690	0.000	1	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:Si-4:	N[6]-3:P-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]HP)(C[6]C[6]H)(SiFeCC)	C[6](N[6]C[6]Si)(PC[6a]2Fe)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]HP)(C[6]C[6]H)(SiFeCC){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(PC[6a]2Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	116.0260	0.000	1	116.0260	0.000	1	116.0260	0.000	1	121.4142	6.735	16	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH)	C[6](C[6]C[6a]N[6])(C[5]C[5]2Mn)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6])	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH){1|Mn<8>,1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[5]C[5]2Mn)(N[6]C[6]C)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]){1|C<4>,3|C<3>,3|H<1>}	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	121.0050	0.000	1	121.0050	0.000	1	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	122.5295	0.084	2	122.5295	0.007	2	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	124.1270	0.000	1	124.1270	0.000	1	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	125.3335	0.445	2	125.3335	0.198	2	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	122.2390	0.000	1	122.2390	0.000	1	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	127.1730	0.000	1	127.1730	0.000	1	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	127.4840	0.000	1	124.1890	21.714	2	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	120.8940	0.000	1	124.1890	21.714	2	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	123.3290	0.000	1	123.3290	0.000	1	123.8161	5.210	11	123.9202	4.867	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	124.0020	0.000	1	124.0020	0.000	1	124.6663	0.872	3	124.4672	0.439	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	125.7340	0.000	1	124.9985	1.082	2	124.6663	0.872	3	124.4672	0.439	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	124.2630	0.000	1	124.9985	1.082	2	124.6663	0.872	3	124.4672	0.439	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:S[6]-2:S-1:	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(S[6]C[6])(S)	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|H<1>}	C[6](N[6]C[6]C)(S[6]C[6])(S){1|C<4>,4|H<1>}	124.2680	0.326	3	124.2680	0.106	3	124.2680	0.106	3	124.4672	0.439	6	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(NCH)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(NCH){1|C<4>,4|H<1>}	120.2620	0.509	2	120.2620	0.259	2	120.2620	0.259	2	120.2620	0.259	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH){1|C<4>,4|H<1>}	118.2880	0.000	1	118.2880	0.000	1	120.7043	1.641	7	120.7043	1.641	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(CCHH){1|C<4>,4|H<1>}	121.3828	0.434	5	121.3828	0.188	5	120.7043	1.641	7	120.7043	1.641	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:2:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(CCHP){1|C<4>,4|H<1>}	119.7280	0.000	1	119.7280	0.000	1	120.7043	1.641	7	120.7043	1.641	7	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	118.2810	0.000	1	118.2810	0.000	1	119.0245	1.106	2	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	119.7680	0.000	1	119.7680	0.000	1	119.0245	1.106	2	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	118.6360	0.000	1	118.6360	0.000	1	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	119.7385	3.531	2	119.8965	4.707	4	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	120.9370	0.000	1	119.8965	4.707	4	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	119.1720	0.000	1	119.8965	4.707	4	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	119.1910	0.000	1	119.1910	0.000	1	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3430	0.000	1	119.3430	0.000	1	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	119.8280	0.000	1	119.8280	0.000	1	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	119.3870	0.146	2	119.3870	0.021	2	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	122.9140	0.000	1	122.9140	0.000	1	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	121.6960	0.000	1	121.6960	0.000	1	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	121.0925	0.781	2	121.0925	0.611	2	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	121.9240	0.000	1	121.9240	0.000	1	120.2718	2.491	15	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	120.0115	0.477	4	120.0115	0.228	4	120.7037	1.297	7	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	122.3780	0.000	1	122.3780	0.000	1	120.7037	1.297	7	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	121.2510	1.335	2	121.2510	1.782	2	120.7037	1.297	7	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,4|H<1>}	119.9400	0.141	2	119.9400	0.020	2	120.7764	0.701	17	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H){1|C<4>,4|H<1>}	120.4593	0.194	3	120.4593	0.038	3	120.7764	0.701	17	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H){1|C<4>,4|H<1>}	121.2040	0.437	2	121.2040	0.191	2	120.7764	0.701	17	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H){1|C<4>,4|H<1>}	120.3567	0.609	6	120.3567	0.371	6	120.7764	0.701	17	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	121.8370	0.000	1	121.8370	0.000	1	120.7764	0.701	17	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Pd)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	120.9020	0.000	1	120.9020	0.000	1	120.7764	0.701	17	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	122.3270	0.004	2	122.3270	0.000	2	120.7764	0.701	17	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	123.5330	0.000	1	123.5330	0.000	1	123.0919	1.603	22	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){2|C<4>,3|H<1>}	123.0730	0.000	1	123.0709	1.673	21	123.0919	1.603	22	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,4|H<1>}	123.0708	1.327	20	123.0709	1.673	21	123.0919	1.603	22	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	P[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH)	C[6](P[6]C[6]Pt2)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH){2|Pt<4>,2|C<4>}	C[6](P[6]C[6]Pt2)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H){1|P<4>,4|H<1>}	123.8954	0.661	8	123.8954	0.437	8	123.8954	0.437	8	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	118.0090	0.000	1	118.0090	0.000	1	117.7723	0.224	3	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|C<4>,3|H<1>}	117.6540	0.604	2	117.6540	0.365	2	117.7723	0.224	3	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	118.3860	0.000	1	118.3860	0.000	1	118.3860	0.000	1	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	116.1650	0.000	1	116.1650	0.000	1	115.4800	0.583	4	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){1|C<4>,2|H<1>,4|C<3>}	115.9090	0.000	1	115.9090	0.000	1	115.4800	0.583	4	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]N[6]C)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|H<1>}	115.4110	0.000	1	115.4110	0.000	1	115.4800	0.583	4	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	114.4350	0.000	1	114.4350	0.000	1	115.4800	0.583	4	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]N[6]S)(SC[6a]OO)	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2	C[6](N[6]C[6]H)(N[6]C[6]S)(S)	N[6](C[6]C[6]HH)(C[6]N[6]S)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6]S)(S){1|C<3>,1|C<4>,3|H<1>}	119.2780	4.311	2	119.2780	18.581	2	119.2780	18.581	2	121.1310	5.719	81	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC)	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC){1|C<3>,1|C<4>,3|H<1>}	119.0770	0.000	1	119.0770	0.000	1	119.0770	0.000	1	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NS)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NS){1|C<4>,3|H<1>}	120.4665	0.117	2	120.4665	0.014	2	120.4665	0.014	2	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(OFe)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(OFe){2|C<4>,2|H<1>}	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo){2|C<4>,2|H<1>}	119.8475	0.022	2	119.8475	0.000	2	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	119.2547	1.031	7	119.2547	1.062	7	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd){2|C<4>,2|H<1>}	119.7380	0.191	2	119.7380	0.036	2	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	119.3735	0.548	2	119.3735	0.300	2	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	120.1080	0.757	6	120.1080	0.573	6	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd){2|C<4>,2|H<1>}	120.8855	0.595	2	120.8855	0.354	2	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	121.1480	1.157	3	121.1480	1.338	3	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]O)(N[6]C[6]C)(SFe)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]O)(N[6]C[6]C)(SFe){2|C<4>,2|H<1>}	120.8330	0.000	1	120.8330	0.000	1	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SAg)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SAg){2|C<4>,2|H<1>}	121.1090	0.652	10	121.1090	0.425	10	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo){2|C<4>,2|H<1>}	121.1362	0.327	4	121.1362	0.107	4	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	123.5350	0.000	1	123.5350	0.000	1	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	121.8638	0.761	4	121.8638	0.579	4	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SW)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SW){2|C<4>,2|H<1>}	120.6600	0.966	4	120.6600	0.932	4	120.5971	1.296	48	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NC){1|C<4>,4|H<1>}	120.9730	4.951	3	120.9730	24.515	3	121.1589	17.950	7	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NC[5])	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NC[5]){1|C<4>,4|H<1>}	121.2982	4.416	4	121.2982	19.497	4	121.1589	17.950	7	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(OAl)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]C)2(OAl){1|C<4>,4|H<1>}	121.9933	0.635	6	121.9933	0.404	6	122.3196	0.602	34	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(OCd)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]C)2(OCd){1|C<4>,4|H<1>}	121.4990	0.419	4	121.4990	0.176	4	122.3196	0.602	34	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(OLu)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]C)2(OLu){1|C<4>,4|H<1>}	122.4935	0.541	12	122.4935	0.292	12	122.3196	0.602	34	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(ONi)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]C)2(ONi){1|C<4>,4|H<1>}	122.7312	1.443	4	122.7312	2.082	4	122.3196	0.602	34	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(OYb)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]C)2(OYb){1|C<4>,4|H<1>}	122.4388	0.716	6	122.4388	0.513	6	122.3196	0.602	34	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(OZn)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]C)2(OZn){1|C<4>,4|H<1>}	122.7160	0.723	2	122.7160	0.522	2	122.3196	0.602	34	121.2541	2.760	93	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:S-3:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo2)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo2){2|C<4>,2|H<1>}	119.4330	1.162	2	119.4330	1.351	2	119.4330	1.351	2	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC){1|C<4>,4|H<1>}	119.9375	0.088	2	119.9375	0.008	2	121.1045	0.829	6	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP){1|C<4>,4|H<1>}	121.7127	0.147	3	121.7127	0.022	3	121.1045	0.829	6	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Pd)(N[6]C[6]C)(CCP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Pd<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6]C)(CCP){1|C<4>,4|H<1>}	121.6140	0.000	1	121.6140	0.000	1	121.1045	0.829	6	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	122.9830	0.000	1	122.9830	0.000	1	121.8145	10.013	8	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	122.4400	0.000	1	122.4400	0.000	1	121.8145	10.013	8	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	123.7110	0.000	1	121.3830	10.839	2	121.8145	10.013	8	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	119.0550	0.000	1	121.3830	10.839	2	121.8145	10.013	8	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCuC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCuC){1|C<4>,4|H<1>}	121.5817	4.355	4	121.5817	18.969	4	121.8145	10.013	8	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<4>,3|H<1>}	114.1635	0.339	2	114.1635	0.115	2	114.1635	0.115	2	120.4631	10.251	18	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	122.3637	0.237	3	122.3637	0.056	3	119.6568	13.904	5	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<4>,3|H<1>}	115.5965	0.742	2	115.5965	0.550	2	119.6568	13.904	5	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	122.1693	2.950	24	122.1693	8.701	24	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHP){1|C<4>,4|H<1>}	122.2525	3.248	2	122.2525	10.548	2	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(CCHH){1|C<4>,4|H<1>}	124.3090	0.069	2	124.1350	0.093	3	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(CCHH){1|C<4>,4|H<1>}	123.7870	0.000	1	124.1350	0.093	3	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Cr)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Cr<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Cr)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	122.3760	0.000	1	122.5140	0.038	2	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Cr)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Cr<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Cr)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	122.6520	0.000	1	122.5140	0.038	2	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Ir)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ir<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ir)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	122.2140	0.000	1	122.2140	0.000	1	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	122.2660	0.000	2	122.2660	0.000	2	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ni<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ni)(N[6]C[6]C)(CCHP){1|C<4>,4|H<1>}	119.6400	0.000	2	119.6400	0.000	2	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Re)(N[6]C[6]C)(CCHP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Re<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Re)(N[6]C[6]C)(CCHP){1|C<4>,4|H<1>}	120.8130	0.000	1	120.8130	0.000	1	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Zn<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	120.9920	0.000	1	121.5463	0.243	3	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Zn<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	121.8235	0.159	2	121.5463	0.243	3	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ga<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH){1|C<4>,1|P<3>,2|N<3>,4|H<1>}	121.9150	0.000	1	121.9150	0.000	1	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(CCHH){1|C<4>,4|H<1>}	120.5810	0.000	1	120.5810	0.000	1	122.0946	5.888	42	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>}	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|H<1>}	112.4810	0.000	1	112.4810	0.000	1	112.4810	0.000	1	121.6404	8.708	48	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	117.6820	0.000	1	117.6820	0.000	1	118.3235	0.823	2	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	118.9650	0.000	1	118.9650	0.000	1	118.3235	0.823	2	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH){1|N<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O){1|O<2>,2|C<4>,4|H<1>}	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	124.8920	0.000	1	124.8920	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.7267	1.072	3	123.7267	1.149	3	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	124.3380	0.000	1	124.3380	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	124.2730	0.371	2	124.2730	0.137	2	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	122.6340	0.000	1	122.8660	0.108	2	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	123.0980	0.000	1	122.8660	0.108	2	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Co<6>,1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|Co<6>,2|C<4>,2|H<1>}	123.7080	0.000	1	124.5180	0.660	3	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	125.3330	0.000	1	124.5180	0.660	3	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Ni<6>,1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|Ni<6>,2|C<4>,2|H<1>}	124.5130	0.000	1	124.5180	0.660	3	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|S<3>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	120.8580	0.000	1	120.8580	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	124.1060	0.000	1	124.1060	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	124.0700	0.074	2	124.0700	0.005	2	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	123.3000	0.000	1	123.3000	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	125.0870	0.000	1	125.0870	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	124.6700	1.131	2	124.6700	1.280	2	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	125.1290	0.000	1	125.1290	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	125.0290	0.000	1	125.0290	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>}	C[6](C[6]O[6]CH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	123.3050	0.000	1	123.3050	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	125.9590	0.000	1	126.1280	0.057	2	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	126.2970	0.000	1	126.1280	0.057	2	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HS)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HS)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	126.0190	0.000	1	126.0190	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]II)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|I<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]II)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	126.3990	0.000	1	126.3990	0.000	1	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]SS)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]SS)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	126.3120	0.356	5	126.3120	0.126	5	124.6491	1.864	32	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	120.6180	0.000	1	120.6180	0.000	1	123.4890	6.591	3	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(S){1|C<4>,2|H<1>,2|O<2>}	124.2850	0.000	1	124.2850	0.000	1	123.4890	6.591	3	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-1:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(S){1|C<4>,4|H<1>}	125.5640	0.000	1	125.5640	0.000	1	123.4890	6.591	3	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O){1|C<3>,2|C<4>,5|H<1>}	125.2013	0.764	3	125.2013	0.584	3	125.2013	0.584	3	124.2582	3.669	43	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){1|C<4>,4|H<1>}	125.3750	0.000	1	125.3750	0.000	1	124.1585	2.960	2	125.3247	2.902	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a])	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a]){2|C<3>,2|C<4>,2|H<1>}	122.9420	0.000	1	122.9420	0.000	1	124.1585	2.960	2	125.3247	2.902	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:S-2:	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC){1|C<4>,2|C<3>,4|H<1>}	126.4910	0.552	2	126.4910	0.304	2	126.4910	0.304	2	125.3247	2.902	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH){1|C<3>,1|C<4>,2|H<1>}	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	120.2730	0.009	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	120.2730	0.009	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	125.4550	0.000	1	125.4550	0.000	1	123.2720	9.727	3	123.2720	9.727	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.1805	3.508	2	122.1805	12.306	2	123.2720	9.727	3	123.2720	9.727	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:2:2:	3:3:3:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:O-2:O-2:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO)	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO){2|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|C<4>,2|H<1>,2|O<2>}	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	2:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6]-4:N[6]-3:C-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H)	C[6](O[6]C[6,6])(N[6]C[6]S)(O)	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](O[6]C[6,6])(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	125.1180	0.000	1	125.1180	0.000	1	125.1180	0.000	1	125.1180	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	123.1555	0.083	2	123.3110	0.422	4	123.3110	0.422	4	123.5830	0.650	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	123.4665	1.078	2	123.3110	0.422	4	123.3110	0.422	4	123.5830	0.650	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	124.2510	0.000	1	124.2510	0.000	1	123.7190	0.777	8	123.5830	0.650	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	123.6990	1.010	5	123.6990	1.020	5	123.7190	0.777	8	123.5830	0.650	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:2:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	123.5030	0.990	2	123.5030	0.980	2	123.7190	0.777	8	123.5830	0.650	12	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H){1|O<2>,2|O<1>}	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	C[6](C[6]O[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	123.0687	0.661	3	123.0687	0.437	3	123.0687	0.437	3	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.3070	0.000	1	122.3070	0.000	1	122.7362	0.959	6	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	123.8230	0.000	1	123.8230	0.000	1	122.7362	0.959	6	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	121.2880	0.000	1	121.2880	0.000	1	122.7362	0.959	6	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.9997	0.750	3	122.9997	0.563	3	122.7362	0.959	6	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	120.4620	0.597	3	120.4620	0.356	3	120.4620	0.356	3	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO)	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H){1|C<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.3000	0.000	1	120.3000	0.000	1	120.3000	0.000	1	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	122.1830	0.000	1	122.1830	0.000	1	122.9160	0.641	3	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	123.2825	0.689	2	123.2825	0.475	2	122.9160	0.641	3	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,2|C<3>}	120.3200	0.000	1	120.3200	0.000	1	120.3200	0.000	1	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	123.5200	0.000	1	123.5200	0.000	1	123.5200	0.000	1	121.8881	2.375	21	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[6]N)(N[6]C[6]C)(NC[6a]Co)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]N[6]N)(N[6]C[6]C)(NC[6a]Co){1|C<3>,1|H<1>,2|C<4>}	120.2040	2.164	2	120.2040	4.682	2	120.2040	4.682	2	120.2040	4.682	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[4]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]N[6,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]N[6,6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|O<1>,3|C<4>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	118.6880	0.062	2	118.6880	0.004	2	118.6880	0.004	2	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	122.7550	0.000	1	122.7550	0.000	1	123.5065	1.130	2	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	124.2580	0.000	1	124.2580	0.000	1	123.5065	1.130	2	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(S)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,1|S<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(S){1|C<3>,2|C<4>,2|H<1>}	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	124.4570	0.348	2	124.4570	0.121	2	124.4570	0.121	2	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]S)(O){1|C<3>,1|C<4>,3|H<1>}	123.8500	0.000	1	123.8500	0.000	1	123.5840	0.142	2	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	123.3180	0.000	1	123.3180	0.000	1	123.5840	0.142	2	122.5977	4.485	11	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:4:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.5990	0.000	1	119.5990	0.000	1	119.5990	0.000	1	119.5990	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){2|C<4>,3|H<1>}	122.8520	0.000	1	122.8520	0.000	1	123.9540	1.326	3	123.9540	1.326	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:2:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H)	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H){1|O<1>,1|O<2>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(O){2|C<4>,3|H<1>}	124.5050	0.911	2	124.5050	0.829	2	123.9540	1.326	3	123.9540	1.326	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3){1|Fe<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(H){1|Fe<10>,1|H<1>,3|C<4>}	125.0270	0.000	1	125.0270	0.000	1	125.0270	0.000	1	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	118.6730	0.000	1	118.6730	0.000	1	118.6730	0.000	1	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]S)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	120.3260	0.000	1	120.3260	0.000	1	121.5430	1.329	4	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6]O[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|O<1>,3|C<3>}	C[6](C[6]O[6]O)(N[6]C[6]C)(O){1|H<1>,2|C<4>}	120.9370	0.000	1	120.9370	0.000	1	121.5430	1.329	4	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|H<1>,3|C<4>}	121.9660	0.000	1	121.9660	0.000	1	121.5430	1.329	4	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|H<1>,3|C<4>}	122.9430	0.000	1	122.9430	0.000	1	121.5430	1.329	4	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){1|H<1>,3|C<4>}	120.9983	1.053	3	120.9983	1.110	3	120.8530	0.824	4	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){1|H<1>,3|C<4>}	120.4170	0.000	1	120.4170	0.000	1	120.8530	0.824	4	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	121.6337	0.052	3	121.6337	0.003	3	122.8383	1.868	7	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	122.2320	0.000	1	122.2320	0.000	1	122.8383	1.868	7	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	123.7170	0.000	1	123.7170	0.000	1	122.8383	1.868	7	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	124.2590	0.000	1	124.2590	0.000	1	122.8383	1.868	7	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)2(O){2|C<4>,3|H<1>}	124.7590	0.000	1	124.7590	0.000	1	122.8383	1.868	7	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.7680	0.085	2	120.7680	0.007	2	120.7957	0.004	4	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.8235	0.018	2	120.8235	0.000	2	120.7957	0.004	4	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:P-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H)	C[6](N[6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,1|P<4>}	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	121.6802	2.588	22	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO){2|C<4>,3|H<1>}	120.2820	0.000	1	120.2820	0.000	1	117.5500	2.827	5	117.5500	2.827	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,2|C<4>,2|H<1>}	116.6497	0.840	3	116.6497	0.705	3	117.5500	2.827	5	117.5500	2.827	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,2|C<4>,2|H<1>}	117.5190	0.000	1	117.5190	0.000	1	117.5500	2.827	5	117.5500	2.827	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	124.5220	0.000	1	124.5220	0.000	1	124.5220	0.000	1	123.1005	14.687	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	120.9300	0.000	1	120.0505	1.547	2	122.6267	20.683	3	123.1005	14.687	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	119.1710	0.000	1	120.0505	1.547	2	122.6267	20.683	3	123.1005	14.687	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){1|H<1>,2|C<4>}	127.7790	0.000	1	127.7790	0.000	1	122.6267	20.683	3	123.1005	14.687	4	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|O<1>,1|O<2>,2|C<4>}	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	124.6440	0.000	1	124.6440	0.000	1	124.8640	0.097	2	124.8640	0.097	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:2:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	125.0840	0.000	1	125.0840	0.000	1	124.8640	0.097	2	124.8640	0.097	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:3:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>}	116.9990	0.000	1	116.9990	0.000	1	116.9990	0.000	1	116.9990	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:3:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	127.0480	0.000	1	127.0480	0.000	1	126.5820	0.434	2	126.5820	0.434	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:4:3:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	126.1160	0.000	1	126.1160	0.000	1	126.5820	0.434	2	126.5820	0.434	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	122.8495	0.532	2	122.8495	0.284	2	122.9997	0.209	3	123.0732	0.277	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	123.3000	0.000	1	123.3000	0.000	1	122.9997	0.209	3	123.0732	0.277	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,2|O<1>,4|C<3>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	123.7530	0.000	1	123.7530	0.000	1	123.1835	0.649	2	123.0732	0.277	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	122.6140	0.000	1	122.6140	0.000	1	123.1835	0.649	2	123.0732	0.277	5	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:5:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:Si-5:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-3:O-3:	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiLiCCO)	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(OLiC)	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiLiCCO){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2{1|C<3>,1|O<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(OLiC){1|C<4>,4|H<1>}	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:1:1:	3:3:3:	C[6]-4:C[3]-4:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH)	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6]-4:C[5]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.8150	0.000	1	123.8150	0.000	1	121.1073	5.500	3	121.1073	5.500	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6]-4:C[5]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	119.7535	0.053	2	119.7535	0.003	2	121.1073	5.500	3	121.1073	5.500	3	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:3:4:	Ga[5]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](Ga[5]N[5]2P)(C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH)	N[6](Ga[5]N[5]2P)(C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>,3|N<3>}	C[6](N[6]Ga[5]C[6])(N[6]C[6]C)(CCHH){1|C<4>,1|P<3>,2|N<3>,4|H<1>}	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O){3|H<1>,4|C<4>}	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	120.6940	15.501	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(O)	N[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(O){1|Fe<10>,3|C<4>,4|H<1>}	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	120.6940	15.501	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:S-2:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	122.7070	0.505	2	122.7070	0.255	2	122.7070	0.255	2	122.7070	0.255	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6]-4:C[6]-3:	N[6]-3:C[6]-4:N-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.8050	0.000	1	122.8050	0.000	1	122.8050	0.000	1	122.8050	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:2:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](N[6]C[6]2)(O[6]C[6])(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[6]2)(O[6]C[6])(O){3|C<4>,5|H<1>}	124.2410	0.000	1	124.2410	0.000	1	124.2410	0.000	1	124.2410	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O)	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[5]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:O-1:	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O)	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	123.0410	0.000	1	123.0410	0.000	1	123.0410	0.000	1	123.0410	0.000	1	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,5|H<1>}	122.3800	0.296	2	122.3800	0.087	2	122.3800	0.087	2	122.3800	0.087	2	122.5809	9.833	1945	122.0744	12.631	2993
856	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[5,6,6]-3:N[3x6]-3:C[6a]-3:	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2)	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.3226	0.270	32	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	3:4:4:	4:3:1:1:	3:3:3:	C[6,6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[5,6,6]-3:N[3x6]-3:C[6a]-3:	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2)	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	110.0280	0.000	1	110.0280	0.000	1	110.0280	0.000	1	110.0280	0.000	1	108.3226	0.270	32	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	108.3620	0.501	2	108.3620	0.251	2	108.2640	0.116	24	108.2640	0.116	24	108.3226	0.270	32	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	108.1622	0.393	12	108.1622	0.154	12	108.2640	0.116	24	108.2640	0.116	24	108.3226	0.270	32	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	108.3667	0.229	10	108.3667	0.053	10	108.2640	0.116	24	108.2640	0.116	24	108.3226	0.270	32	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:	4:3:1:1:	4:3:3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:N[3x6]-3:C-3:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	108.2642	0.732	6	108.2642	0.535	6	108.2642	0.535	6	108.2642	0.535	6	108.3226	0.270	32	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:3:	3:4:4:2:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6,6]-3:	N[6,6]-3:C[6,6]-4:C[6]-4:O[6]-2:	N[6,6]-3:C[6,6]-3:C[6]-4:	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6])	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<3>,6|C<4>,6|H<1>}	C[3x6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6]){2|C<4>,4|C<3>,7|H<1>}	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	115.0570	0.096	2	115.0570	0.009	2	115.0570	0.009	2	115.0570	0.009	2	114.5632	0.387	4	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	114.3660	0.000	1	114.0695	0.176	2	114.0695	0.176	2	114.0695	0.176	2	114.5632	0.387	4	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:4:	3:3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	113.7730	0.000	1	114.0695	0.176	2	114.0695	0.176	2	114.0695	0.176	2	114.5632	0.387	4	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){4|H<1>,7|C<4>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H){2|N<3>,4|C<4>,5|H<1>}	115.4390	0.000	1	115.4390	0.000	1	116.2790	1.411	2	116.2790	1.411	2	117.7279	8.558	7	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[3x6]-4:C[6]-3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	117.1190	0.000	1	117.1190	0.000	1	116.2790	1.411	2	116.2790	1.411	2	117.7279	8.558	7	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,6|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	120.9150	0.000	1	121.0870	0.059	2	121.0870	0.059	2	121.0870	0.059	2	117.7279	8.558	7	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	121.2590	0.000	1	121.0870	0.059	2	121.0870	0.059	2	121.0870	0.059	2	117.7279	8.558	7	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	117.7279	8.558	7	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[3x6]	C[6]	4:4:3:	4:4:3:1:	3:3:1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,5|C<4>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){1|N<3>,4|C<4>,6|H<1>}	114.7140	0.269	2	114.7140	0.072	2	114.7140	0.072	2	114.7140	0.072	2	117.7279	8.558	7	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[3x6]	4:3:4:	4:3:1:1:	4:4:3:	C[6,6]-4:C[3x6]-3:C-4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	110.6950	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:1:	3:2:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:N[6]-2:C-4:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	118.5840	0.000	1	118.5840	0.000	1	118.5840	0.000	1	117.7795	1.294	2	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:1:	3:3:3:	N[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	C[6](N[6,6]N[5a,6]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](N[6,6]N[5a,6]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	117.7795	1.294	2	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O){2|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	122.0330	0.000	1	122.0330	0.000	1	122.0330	0.000	1	122.0330	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6a]-3:H-1:	N[6,6]-3:C[6,6]-3:O-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O)	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O){1|S<2>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:2:3:	3:4:3:2:	3:4:1:	C[6,6]-4:O[6]-2:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:S-2:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O)	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS)	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS){1|O<1>,1|O<2>,4|C<4>}	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,3|C<4>}	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:2:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	C[6](N[6,6]C[6,6]O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](N[6,6]C[6,6]O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	112.5250	0.000	1	112.5250	0.000	1	112.5250	0.000	1	112.5250	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	124.4790	0.000	1	124.4790	0.000	1	124.4790	0.000	1	124.4790	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-4:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.5720	0.000	1	122.5720	0.000	1	122.5720	0.000	1	122.5720	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6a]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	111.3650	0.000	1	111.3650	0.000	1	111.3650	0.000	1	111.3650	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	115.1820	0.000	1	115.1820	0.000	1	115.1820	0.000	1	115.1820	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.6880	0.000	1	122.6880	0.000	1	122.6880	0.000	1	122.6880	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:1:	3:3:3:	C[6,6]-4:S[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,4|C<3>,4|H<1>}	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	122.7320	0.000	1	122.7320	0.000	1	122.7320	0.000	1	122.7320	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	123.0800	0.000	1	123.0800	0.000	1	123.0800	0.000	1	123.0800	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:1:1:	3:2:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:S[6]-2:N-2:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a])	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N){2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<2>,1|S<2>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a]){2|C<4>,6|H<1>}	117.8245	0.118	2	117.8245	0.014	2	117.8245	0.014	2	117.8245	0.014	2	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2{1|O<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,4|H<1>}	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:1:1:	3:4:2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:N-2:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|N<2>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){2|C<4>,6|H<1>}	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	117.4098	20.588	24	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[3x6]	3:4:4:	3:4:1:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	116.4772	2.099	6	116.4772	4.404	6	116.4772	4.404	6	116.4772	4.404	6	116.4772	4.404	6	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:2:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:N[6]-2:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6])	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N[6,6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	115.3370	0.000	1	115.3370	0.000	1	115.3370	0.000	1	115.3370	0.000	1	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|H<1>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){2|C<4>,8|H<1>}	118.4125	2.471	2	118.4125	6.108	2	118.4125	6.108	2	119.9373	9.479	6	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	120.6997	3.382	4	120.6997	11.438	4	120.6997	11.438	4	119.9373	9.479	6	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:N[6,6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	117.8710	0.000	1	117.8710	0.000	1	117.8710	0.000	1	118.8710	3.415	9	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Mo<5>,6|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mo)2{2|C<4>,8|H<1>}	118.1005	1.838	4	118.1005	3.378	4	118.9960	3.742	8	118.8710	3.415	9	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Ru<5>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)2{2|C<4>,8|H<1>}	119.8915	1.793	4	119.8915	3.214	4	118.9960	3.742	8	118.8710	3.415	9	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:3:4:1:	3:3:2:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:C-4:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6])	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6]){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	114.4360	0.000	1	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6,6]	C[6]	C[6,6]	4:3:4:	3:4:1:1:	3:3:3:	S[6]-4:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C)	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	118.6887	6.790	19	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:2:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	121.0830	0.000	1	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	3:2:3:1:	3:3:3:	C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:O[6,6]-2:N[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N)	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N){2|O<2>,3|H<1>,4|C<3>}	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.7815	1.196	2	116.7815	1.430	2	116.7815	1.430	2	116.7815	1.430	2	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	110.1780	0.000	1	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:2:3:1:	3:3:3:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO)	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.0440	0.000	1	115.0440	0.000	1	115.0440	0.000	1	115.0440	0.000	1	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	121.7140	0.000	1	121.7140	0.000	1	121.7140	0.000	1	121.7140	0.000	1	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:4:	4:3:3:3:	3:3:2:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]N[6])(SC[6a]OO)	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6a]C[6a]2)(N[6]C[6,6]S)(N[6]N[6])	N[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]N[6])(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|N<2>,5|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]S)(N[6]N[6]){1|C<4>,2|H<1>,5|C<3>}	118.4130	0.000	1	118.4130	0.000	1	118.4130	0.000	1	118.4130	0.000	1	117.0387	16.236	10	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	116.0490	0.000	1	115.5780	0.444	2	115.0635	0.547	4	115.0635	0.547	4	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	115.1070	0.000	1	115.5780	0.444	2	115.0635	0.547	4	115.0635	0.547	4	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	114.5490	0.371	2	114.5490	0.137	2	115.0635	0.547	4	115.0635	0.547	4	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]W)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|W<6>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]W){2|C<4>,8|H<1>}	122.4637	1.300	3	122.4637	1.690	3	122.9062	1.910	4	122.9062	1.910	4	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Li<4>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Li)(N[6]C[6]H){2|C<4>,8|H<1>}	124.2340	0.000	1	124.2340	0.000	1	122.9062	1.910	4	122.9062	1.910	4	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:1:	3:4:4:4:	3:3:3:	C[6,6]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2{2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	116.3510	0.000	1	116.3510	0.000	1	116.3510	0.000	1	116.3510	0.000	1	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:3:1:1:	3:3:2:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:N[6]-3:O[6]-2:	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6])	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	113.5640	0.000	1	113.5640	0.000	1	113.5640	0.000	1	114.9997	1.955	3	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2{2|C<4>,8|H<1>}	115.0780	0.000	1	115.0780	0.000	1	115.7175	0.818	2	114.9997	1.955	3	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){2|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]C)2{2|C<4>,8|H<1>}	116.3570	0.000	1	116.3570	0.000	1	115.7175	0.818	2	114.9997	1.955	3	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:N[6]-3:	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH){3|H<1>,4|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,4|C<4>,7|H<1>}	114.0210	0.000	1	114.0210	0.000	1	114.0210	0.000	1	114.0210	0.000	1	117.0144	14.713	15	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	3:4:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6]-4:O-2:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<2>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	113.1230	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:3:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6])	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,6|C<3>}	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	107.9310	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	125.9100	0.000	1	125.9100	0.000	1	125.9100	0.000	1	125.9100	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:1:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){2|H<1>,2|N<3>}	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O){3|C<4>,3|H<1>}	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:2:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-4:O-2:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH)	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:2:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-4:O-2:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:3:	4:3:3:3:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:C-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO){3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)2{1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	111.6770	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3)	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3){3|C<3>}	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:C-4:H-1:	N[6,6]-3:N[6]-3:O-1:	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	117.9465	0.797	4	117.9465	0.635	4	117.9465	0.635	4	117.9465	0.635	4	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.8960	0.000	1	119.8960	0.000	1	119.5020	0.310	2	119.5020	0.310	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.1080	0.000	1	119.1080	0.000	1	119.5020	0.310	2	119.5020	0.310	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	119.9050	0.362	4	119.9050	0.131	4	119.9050	0.131	4	119.9050	0.131	4	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:1:	3:3:3:	C[6]-3:C[6]-4:S-4:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	114.8000	0.000	1	114.8000	0.000	1	114.8000	0.000	1	114.8000	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	3:4:4:	4:3:4:4:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:N[6]-3:C-4:C-4:	C[5]-3:C[6]-3:N[6]-3:	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|C<3>,2|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,7|C<4>}	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:2:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:S[6]-2:C-4:C-4:	C[6]-3:N[6]-3:O-1:	N[6](C[6]S[6]CC)(C[6]C[6]O)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]S[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>}	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|S<2>,2|C<4>}	123.5830	0.000	1	123.5830	0.000	1	123.5830	0.000	1	123.5830	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	2:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	125.3170	0.000	1	125.3170	0.000	1	125.3170	0.000	1	125.3170	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	120.6090	0.000	1	120.6090	0.000	1	120.9355	0.213	2	120.9355	0.213	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	121.2620	0.000	1	121.2620	0.000	1	120.9355	0.213	2	120.9355	0.213	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,4|C<3>}	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C[6](N[6]C[6]H)(N[6]O[6]C)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]O[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	121.3375	2.307	2	121.3375	5.324	2	121.3375	5.324	2	121.6090	2.883	3	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){3|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	121.6090	2.883	3	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	128.4930	0.000	1	128.4930	0.000	1	128.4930	0.000	1	128.4930	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:1:	4:3:4:2:	3:3:1:	C[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-3:C-4:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.6260	0.044	2	120.6260	0.002	2	120.6260	0.002	2	120.6260	0.002	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-2:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3150	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6](C[6]O[6]CC)(N[6]C[6]O)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]O[6]CC)(N[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	124.3340	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:3:2:	3:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,1|O<2>,4|C<3>}	128.6160	0.000	1	128.6160	0.000	1	128.6160	0.000	1	128.6160	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:O-2:	N[6]-3:N[6]-3:C-4:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O)	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:2:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:1:1:	3:2:4:	C[6]-4:C[6]-3:N-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	C[6](N[6]C[6]N)2(H)2	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:N-3:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	120.2720	0.000	1	120.2720	0.000	1	120.2720	0.000	1	120.2720	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C[6]-4:C[6]-3:S-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	121.9165	0.211	2	121.9165	0.045	2	121.9165	0.045	2	121.9165	0.045	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,3|H<1>,6|C<3>}	114.5740	0.000	1	114.5740	0.000	1	114.5740	0.000	1	115.5550	1.925	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:P-4:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|P<4>,3|H<1>,6|C<3>}	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	115.5550	1.925	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:C[6a]-3:	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2)	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	117.7505	8.917	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:H-1:	N[6]-3:C[6]-3:C[6a]-3:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	117.7505	8.917	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:B[5a]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	114.5370	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	116.0020	0.000	1	116.0020	0.000	1	116.0020	0.000	1	116.0020	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]C)2(O){1|N<3>,4|H<1>}	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	117.9345	4.509	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,4|H<1>}	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	117.9345	4.509	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	C[6]-4:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<3>,1|C<4>,2|H<1>}	112.4935	0.151	2	112.4935	0.023	2	112.4935	0.023	2	112.4935	0.023	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	2:3:3:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	S[6]-2:N[6]-3:C-3:	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS)	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS){1|C<4>,1|H<1>,2|C<3>}	114.6160	0.000	1	114.6160	0.000	1	114.6160	0.000	1	114.6160	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H){1|C<4>,1|H<1>,4|C<3>}	115.7010	0.000	1	115.7010	0.000	1	116.0310	0.218	2	116.3753	0.465	3	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H){1|C<4>,1|H<1>,4|C<3>}	116.3610	0.000	1	116.3610	0.000	1	116.0310	0.218	2	116.3753	0.465	3	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	117.0640	0.000	1	117.0640	0.000	1	117.0640	0.000	1	116.3753	0.465	3	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	118.6720	0.000	1	118.6720	0.000	1	118.9940	0.207	2	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|O<1>}	C[6](C[6]C[6]S)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	119.3160	0.000	1	119.3160	0.000	1	118.9940	0.207	2	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	C[6](N[6]C[6]C)2(H){1|C<4>,4|H<1>}	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	117.4920	0.000	1	117.4920	0.000	1	116.6290	1.490	2	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	115.7660	0.000	1	115.7660	0.000	1	116.6290	1.490	2	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	116.3570	0.000	1	116.3570	0.000	1	115.0981	2.712	10	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	114.2725	0.275	2	115.5473	4.913	3	115.0981	2.712	10	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,3|H<1>}	118.0970	0.000	1	115.5473	4.913	3	115.0981	2.712	10	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	113.9510	0.655	2	114.9320	2.275	5	115.0981	2.712	10	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	115.5860	1.653	3	114.9320	2.275	5	115.0981	2.712	10	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	C[6](C[6]O[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	C[6](C[6]O[6]C)(N[6]C[6]S)(H){1|C<4>,2|H<1>}	113.3220	0.000	1	113.3220	0.000	1	115.0981	2.712	10	116.0922	4.485	15	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS)	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS){1|C<3>,1|C<4>,3|H<1>}	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	116.9730	0.983	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)2(NC){1|C<4>,4|H<1>}	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	116.9730	0.983	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	115.9200	0.000	1	115.9110	0.000	2	115.5293	0.207	4	115.0260	1.422	5	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	115.9020	0.000	1	115.9110	0.000	2	115.5293	0.207	4	115.0260	1.422	5	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)2(NCuC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)2(NCuC){1|C<4>,4|H<1>}	115.1475	0.197	2	115.1475	0.039	2	115.5293	0.207	4	115.0260	1.422	5	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|S<4>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH){1|C<4>,1|S<4>,2|H<1>}	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	115.0260	1.422	5	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<4>,3|H<1>}	116.7450	0.000	1	116.7450	0.000	1	116.7450	0.000	1	117.5010	1.143	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	118.2570	0.000	1	118.2570	0.000	1	118.2570	0.000	1	117.5010	1.143	2	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	121.8260	0.000	1	121.8260	0.000	1	121.8260	0.000	1	121.8260	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:2:3:	3:3:1:	C[6]-4:C[6]-3:S-4:	C[6]-4:N[6]-3:S-2:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	114.4590	0.000	1	114.4590	0.000	1	114.4590	0.000	1	114.4590	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<3>,1|C<4>,2|H<1>}	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	118.3122	15.364	86	116.3289	24.316	204
856	466	762	6:SP3_SP2_SP3	N[6]	C[6]	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5,5,6,6]-4:N[6]-3:C-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H)	C[6](C[6,6]C[5,5,3x6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6,6]C[5,5,3x6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	124.0030	0.000	1	124.0030	0.000	1	124.0030	0.000	1	124.0030	0.000	1	118.3122	15.364	86	116.3289	24.316	204