542	474	679	0:SP2_SP3_SP3	N[5,6]	C[5]	B[5a,6]	4:3:4:	3:4:4:4:	3:3:2:2:	B[5a,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6]-3:N[5,6]-3:O[5a]-2:O[5a]-2:	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC)	C[5](N[5,6]B[5a,6]C[5,6])(C[5]O[5]HH)(CH3)2	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2	N[5,6](B[5a,6]N[5,6]O[5a]2)(C[5,6]C[6]O[5])(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]B[5a,6]C[5,6])(C[5]O[5]HH)(CH3)2{1|C<3>,1|N<3>,2|O<2>}	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2{2|O<2>,3|C<3>,6|C<4>}	126.5845	0.060	2	126.5845	0.004	2	126.5845	0.004	2	126.5845	0.004	2	126.5845	0.004	2	126.5845	0.004	2
542	474	679	5:SP2_SP3_SP3	N[5]	C[5]	B[5,5a]	4:3:4:	3:3:4:1:	3:3:2:2:	B[5,5a]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:O[5a]-2:O[5a]-2:	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H)	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H){2|O<2>,3|C<3>}	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2{1|H<1>,2|C<4>,6|C<3>}	113.4225	0.110	2	113.4225	0.012	2	113.4225	0.012	2	113.4225	0.012	2	113.4225	0.012	2	113.4225	0.012	2
542	474	686	5:SP3_SP3_SPD5	N[5]	C[5]	Ge[4,5,5]	5:4:4:	3:4:1:1:	4:4:3:3:1:	Ge[4,5,5]-5:C[5]-4:Si-4:	N[5]-3:C[5]-4:H-1:H-1:	N[4,5,5]-4:N[4,5,5]-4:N[5]-3:N[5]-3:Cl-1:	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3)	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl)	N[5](Ge[4,5,5]N[4,5,5]2N[5]Cl)(C[5]C[5]HH)(SiC3){1|Ge<5>,1|Si<4>,2|H<1>,4|C<4>}	C[5](N[5]Ge[4,5,5]Si)(C[5]N[4,5,5]HH)(H)2{1|Cl<1>,1|Ge<5>,1|C<4>,1|N<3>,1|N<4>}	Ge[4,5,5](N[4,5,5]Ge[4,5,5]C[5]2)2(N[5]C[5]Si)2(Cl){12|H<1>,1|Cl<1>,2|C<4>,2|N<3>}	110.1100	2.015	2	110.1100	4.061	2	110.1100	4.061	2	110.1100	4.061	2	110.1100	4.061	2	110.1100	4.061	2
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	N[5,5]-3:C[5,5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]N[5]2)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5,5]HH){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]N[5]2)(H)2{1|N<3>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	136.1460	0.000	1	136.1460	0.000	1	136.1460	0.000	1	138.0520	2.533	5	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	136.9040	0.000	1	136.9040	0.000	1	137.4265	0.546	2	138.0520	2.533	5	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]HH){1|Cu<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,4|H<1>}	137.9490	0.000	1	137.9490	0.000	1	137.4265	0.546	2	138.0520	2.533	5	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]N[5,5])(C[5]C[5]HH)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	139.6305	0.432	2	139.6305	0.187	2	139.6305	0.187	2	138.0520	2.533	5	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]S[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5]H)(CHHO)(H){1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	135.1290	0.000	1	135.1290	0.000	1	135.1290	0.000	1	135.1290	0.000	1	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5])	C[5](N[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)2(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(N[5,5]C[5]N[5]){1|Re<6>,2|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)2(C[5]C[5]H){1|Re<6>,1|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	142.1120	0.000	1	142.1120	0.000	1	142.1120	0.000	1	142.1120	0.000	1	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	116.3600	7.248	4	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	115.8635	2.015	2	115.8635	4.058	2	115.2313	3.228	3	116.3600	7.248	4	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	113.9670	0.000	1	113.9670	0.000	1	115.2313	3.228	3	116.3600	7.248	4	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.8500	0.100	2	119.8500	0.010	2	119.8500	0.010	2	121.4068	4.221	4	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN){1|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	121.4068	4.221	4	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	121.4068	4.221	4	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	115.2060	0.000	1	115.2060	0.000	1	115.2060	0.000	1	115.2060	0.000	1	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	5:3:4:	3:3:1:1:	3:3:3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Br<1>,1|H<1>,1|S<2>,5|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,4|H<1>}	117.0540	0.000	1	117.0540	0.000	1	117.0039	0.513	7	117.0039	0.513	7	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	5:3:4:	3:3:1:1:	3:3:3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|Cl<1>,1|H<1>,1|S<2>,5|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	117.0510	0.297	2	117.0510	0.088	2	117.0039	0.513	7	117.0039	0.513	7	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	5:3:4:	3:3:1:1:	3:3:3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	117.1293	1.154	3	117.1293	1.332	3	117.0039	0.513	7	117.0039	0.513	7	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,5]	C[5]	C[5,6a]	5:3:4:	3:3:1:1:	3:3:3:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6]-3:H-1:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,4|C<3>}	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,6]N[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.4830	0.000	1	116.4830	0.000	1	117.0039	0.513	7	117.0039	0.513	7	123.7841	95.731	24	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,5a]	4:3:3:	4:3:4:4:	3:3:2:	C[5,6,6]-4:C[5,5a]-3:C[5,6]-3:	C[5,6,6]-4:N[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:N[5,5a]-3:S[5a]-2:	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6])	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5a](N[5,6]C[5,6,6]C[5,6])(N[5,5a]C[5a]C[5])(S[5a]C[5a])	N[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,5a]N[5,5a]S[5a])(C[5,6]C[5]C[6]){1|N<3>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6,6](C[5,6,6]C[5]C[6]O[6])(N[5,6]C[5,5a]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,5|H<1>}	C[5,5a](N[5,6]C[5,6,6]C[5,6])(N[5,5a]C[5a]C[5])(S[5a]C[5a]){1|N<3>,2|C<3>,4|C<4>}	128.1440	0.000	1	128.1440	0.000	1	128.1440	0.000	1	128.1440	0.000	1	128.1440	0.000	1	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,6]	C[5]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6,6a]-3:C[5a,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:N[5a,6]-3:N[5a]-2:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH)	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5,6]C[5,6,6a]C[5])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,2|H<1>,6|C<3>}	128.0020	0.000	1	128.0020	0.000	1	128.0020	0.000	1	128.0020	0.000	1	128.0043	0.231	3	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5,6]	C[5]	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5a,6]-3:N[5,6]-3:C[5a]-3:	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a])	N[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5a,6]C[5,6])(C[5]N[5]HH)(H)2{1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5,6]C[5,6]C[5])(C[5a]C[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	128.0055	0.680	2	128.0055	0.462	2	128.0055	0.462	2	128.0055	0.462	2	128.0043	0.231	3	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5a]	4:3:4:	4:4:3:1:	3:3:2:	C[5,5,6]-4:C[5a]-3:S[5]-4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[5a]-3:N[5a]-2:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H)	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a])	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H){1|C<3>,1|N<2>,2|O<1>,3|C<4>,5|H<1>}	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,2|O<1>,4|C<4>}	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5,5]	C[5a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5]-3:S[5]-2:	N[5]-3:C[5a]-3:C[5a]-3:	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5])	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	C[5a](N[5]C[5,5]C[5])(C[5a]N[5a]C)(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<4>,3|C<3>}	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	122.1740	0.000	1	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5,6]	C[5a]	4:3:3:	3:3:3:2:	3:3:2:	C[5,6]-4:C[5a]-3:C[5]-3:	N[5]-3:C[6]-3:C[6]-3:O[5]-2:	N[5a]-3:N[5]-3:N[5a]-2:	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O)	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a])	N[5](C[5,6]C[6]2O[5])(C[5a]N[5a]2)(C[5]C[5]O){1|N<2>,4|C<3>,4|H<1>}	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	122.7728	0.292	5	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5,6]	C[5a]	4:3:3:	3:3:3:3:	3:2:2:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5])	C[5a](N[5]C[5,6]C[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5]){1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[5a](N[5]C[5,6]C[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|O<1>,6|C<3>}	122.6340	0.713	3	122.6340	0.508	3	122.7368	0.381	4	122.7368	0.381	4	122.7728	0.292	5	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5,6]	C[5a]	4:3:3:	3:3:3:3:	3:2:2:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5])	C[5a](N[5]C[5,6]C[5])(N[5a]N[5a])(S[5a]C[5a])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){1|N<2>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5]){1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[5a](N[5]C[5,6]C[5])(N[5a]N[5a])(S[5a]C[5a]){1|O<1>,5|C<3>}	123.0450	0.000	1	123.0450	0.000	1	122.7368	0.381	4	122.7368	0.381	4	122.7728	0.292	5	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS){1|Pd<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	124.3060	0.000	1	124.3060	0.000	1	126.2755	7.758	2	126.2755	7.758	2	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CPdHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CPdHH){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	128.2450	0.000	1	128.2450	0.000	1	126.2755	7.758	2	126.2755	7.758	2	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	129.8000	0.000	2	129.8000	0.000	2	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Co<6>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	129.1160	1.943	4	127.7676	5.076	10	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	124.7630	1.416	2	127.7676	5.076	10	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	128.6110	0.000	1	127.7676	5.076	10	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	125.6960	0.000	1	127.7676	5.076	10	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	128.2880	0.000	1	127.7676	5.076	10	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Rh<8>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Rh<8>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	129.0910	0.000	1	127.7676	5.076	10	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]Pt){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,2|N<3>}	125.3630	0.000	1	125.3630	0.000	1	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O[5]H)(C[5]N[5]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,1|S<1>,2|H<1>,2|N<3>}	127.9350	0.000	1	127.9350	0.000	1	127.8981	4.578	14	127.8981	4.578	14	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<6>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.5487	0.048	3	125.5618	0.002	5	125.5618	0.002	5	125.5618	0.002	5	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(C[5]N[5]H){1|Co<6>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<6>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.5815	0.032	2	125.5618	0.002	5	125.5618	0.002	5	125.5618	0.002	5	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:2:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	128.2430	0.000	1	128.2430	0.000	1	128.2430	0.000	1	128.2430	0.000	1	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]H){2|C<3>,3|C<4>,5|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	125.3590	0.000	1	125.3590	0.000	1	125.3590	0.000	1	125.3590	0.000	1	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,3|C<3>,6|H<1>}	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:Ga[5,5]-4:C[5]-4:	N[5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H)	C[5](N[5]C[5,6a]Ga[5,5])(C[5]C[5]HH)2(H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H){3|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5,6a]Ga[5,5])(C[5]C[5]HH)2(H){1|O<3>,2|C<3>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	118.2190	0.670	2	118.2190	0.449	2	118.2190	0.449	2	118.2190	0.449	2	126.1656	11.583	26	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5a]-3:N[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5]C[5,6a]C[5])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:3:4:1:	2:2:3:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5]){1|C<4>,1|H<1>,4|C<3>}	125.8570	0.000	1	125.8570	0.000	1	125.8570	0.000	1	125.8570	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:3:4:1:	3:2:2:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5a]-3:C[5]-4:H-1:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|N<2>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	125.4590	0.267	3	125.4590	0.071	3	125.4590	0.071	3	124.6581	3.179	19	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:3:4:1:	3:2:2:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a](N[5]C[5]N[5])(N[5a]C[5,5a])(S[5a]C[5,5a])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5]C[5]N[5])(N[5a]C[5,5a])(S[5a]C[5,5a]){1|H<1>,2|C<4>,3|C<3>}	127.1220	0.000	1	127.1220	0.000	1	124.5079	3.653	16	124.6581	3.179	19	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:3:4:1:	3:2:2:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	125.6010	0.000	1	124.3337	3.394	15	124.5079	3.653	16	124.6581	3.179	19	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:3:4:1:	3:2:2:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	123.9952	1.902	12	124.3337	3.394	15	124.5079	3.653	16	124.6581	3.179	19	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:3:4:1:	3:2:2:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	126.3770	0.000	1	124.3337	3.394	15	124.5079	3.653	16	124.6581	3.179	19	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:3:4:1:	3:2:2:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	125.0850	0.000	1	124.3337	3.394	15	124.5079	3.653	16	124.6581	3.179	19	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:4:1:1:	2:2:3:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5])	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](N[5]C[5a]N[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	124.8690	0.000	1	124.8690	0.000	1	124.8690	0.000	1	124.8690	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:3:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:3:2:1:	2:2:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	119.2137	1.511	9	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:3:2:1:	2:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	119.2865	1.426	2	118.8918	0.661	8	118.8918	0.661	8	119.2137	1.511	9	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:3:2:1:	2:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]S[5]H)(C[5]C[5]O){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	118.7602	0.660	6	118.8918	0.661	8	118.8918	0.661	8	119.2137	1.511	9	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:3:4:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(N[5]C[5]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	124.5550	0.000	1	124.5550	0.000	1	124.5550	0.000	1	124.5550	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	2:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.1075	0.339	2	122.1075	0.115	2	122.2883	0.155	3	122.2883	0.155	3	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	2:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.6500	0.000	1	122.6500	0.000	1	122.2883	0.155	3	122.2883	0.155	3	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[5]-3:	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	124.9470	0.000	1	124.6815	0.141	2	124.6815	0.141	2	124.7420	0.280	5	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N[5]-3:	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]O[5]O){1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	124.4160	0.000	1	124.6815	0.141	2	124.6815	0.141	2	124.7420	0.280	5	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5]-3:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	124.7823	0.696	3	124.7823	0.484	3	124.7823	0.484	3	124.7420	0.280	5	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:2:1:	2:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:O-2:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O)	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HO)(C[5]N[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](N[5]C[5a]C[5])(C[5]N[5]HO)(OH)(H){1|C<3>,1|N<2>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	123.3370	0.000	1	123.3370	0.000	1	123.3370	0.000	1	123.3370	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:4:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.6630	0.280	2	124.6630	0.078	2	124.6630	0.078	2	124.6630	0.078	2	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	4:3:3:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5a]-3:O[5a]-2:N[5]-3:	N[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	124.5080	0.000	1	124.5080	0.000	1	124.5080	0.000	1	124.5080	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-2:S[5a]-2:N[5]-3:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|S<2>,4|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[5]C[5]2){1|N<2>,2|C<4>,5|H<1>}	123.3125	0.904	4	123.3125	0.817	4	123.3125	0.817	4	123.3125	0.817	4	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:S[5a]-2:N[5]-3:	N[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	123.4725	2.184	2	123.4725	4.771	2	123.4725	4.771	2	123.0467	10.177	10	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,2|N<2>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	122.3555	4.730	2	122.3555	22.371	2	122.9403	12.338	8	123.0467	10.177	10	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,2|N<2>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	123.1060	5.985	2	123.2180	21.000	4	122.9403	12.338	8	123.0467	10.177	10	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<4>,2|N<2>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	123.3300	5.209	2	123.2180	21.000	4	122.9403	12.338	8	123.0467	10.177	10	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,1|N<2>,5|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,4|H<1>}	122.9695	0.069	2	122.9695	0.005	2	122.9403	12.338	8	123.0467	10.177	10	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	4:3:3:	3:3:2:1:	3:3:3:	C[5]-4:C[5a]-3:C[5]-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O)	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5]C[5a]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|O<1>,4|C<3>,4|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	118.6360	0.693	2	118.6360	0.480	2	118.6360	0.480	2	118.6360	0.480	2	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP2_SP2_SP3	N[5]	C[5]	C[5a]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	N[5a]-3:C[5a]-3:N[5]-3:	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	122.9704	7.389	63	123.9195	26.309	124
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	117.5935	0.383	2	116.9957	1.145	3	116.9957	1.145	3	116.9957	1.145	3	116.9957	1.145	3	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,2|F<1>,2|H<1>,6|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	115.8000	0.000	1	116.9957	1.145	3	116.9957	1.145	3	116.9957	1.145	3	116.9957	1.145	3	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5,6]	C[5,6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|C<4>,5|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:P[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5]P[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5,5]C[5,6a]P[5,5])(C[5]N[5]HH)(H)2{1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]P[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2{1|C<4>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|N<2>,5|C<3>,6|H<1>}	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	114.4040	0.000	1	116.5100	8.870	2	116.5100	8.870	2	116.5100	8.870	2	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	118.6160	0.000	1	116.5100	8.870	2	116.5100	8.870	2	116.5100	8.870	2	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[3,5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	120.6117	1.438	3	120.6117	2.067	3	120.6117	2.067	3	117.8721	6.025	8	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	115.8400	0.000	1	115.8400	0.000	1	116.2284	0.503	5	117.8721	6.025	8	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	116.7120	0.127	3	116.7120	0.016	3	116.2284	0.503	5	117.8721	6.025	8	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	115.1660	0.000	1	115.1660	0.000	1	116.2284	0.503	5	117.8721	6.025	8	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	117.9715	0.414	2	117.8863	0.107	3	117.8863	0.107	3	119.5296	4.442	10	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){3|H<1>,4|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	117.7160	0.000	1	117.8863	0.107	3	117.8863	0.107	3	119.5296	4.442	10	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.3545	1.340	2	120.3545	1.796	2	119.8372	1.304	4	119.5296	4.442	10	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.3200	1.022	2	119.3200	1.045	2	119.8372	1.304	4	119.5296	4.442	10	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.0970	0.000	1	122.6990	0.317	2	122.6990	0.317	2	119.5296	4.442	10	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.3010	0.000	1	122.6990	0.317	2	122.6990	0.317	2	119.5296	4.442	10	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.8900	0.000	1	116.8900	0.000	1	116.8900	0.000	1	119.5296	4.442	10	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	111.8000	0.197	2	111.8000	0.039	2	113.1260	5.294	3	113.1260	5.294	3	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	115.7780	0.000	1	115.7780	0.000	1	113.1260	5.294	3	113.1260	5.294	3	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	115.0390	2.445	3	115.0390	5.980	3	115.0390	5.980	3	115.0390	5.980	3	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,5]	C[5]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,4|H<1>}	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	117.5326	9.096	30	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6]-4:N[5,6]-3:C[5]-3:N[5]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]N[5,6]C[5]N[5])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[5,6](C[5,6]N[5,6]C[5]N[5])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|O<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	125.2510	0.074	2	125.2510	0.005	2	125.2510	0.005	2	125.2510	0.005	2	118.7638	56.709	4	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:4:	3:4:2:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H)	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H){1|H<1>,3|C<3>,4|C<4>}	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	112.2765	1.336	2	112.2765	1.784	2	112.2765	1.784	2	112.2765	1.784	2	118.7638	56.709	4	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5a]	4:3:4:	4:4:3:1:	3:3:2:	C[5,5,6]-4:C[5a]-3:S[5]-4:	C[3x5,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[5a]-3:N[5a]-2:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H)	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a])	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5a]C[5a]N[5a])(S[5]C[5]OO){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(N[5]C[5a]S[5])(H){1|C<3>,1|N<2>,2|O<1>,3|C<4>,5|H<1>}	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,2|O<1>,4|C<4>}	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5]	C[5]	C[5a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5]-3:O[5a]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH){1|N<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	121.9485	1.504	4	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5]	C[5]	C[5a]	3:4:2:	3:3:4:1:	3:2:2:	C[5a]-3:C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:N[5a]-2:S[5a]-2:	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5])	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a])	N[5](C[5a]N[5a]S[5a])(C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5](N[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5a](N[5]C[5]N[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	122.9600	0.000	1	122.9600	0.000	1	122.9600	0.000	1	122.9600	0.000	1	121.9485	1.504	4	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5a]-3:N[5a]-2:N[5]-3:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2)	N[5](C[5a]N[5a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5a]C[5])(C[5]N[5]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<4>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(N[5]C[5]2){1|C<4>,1|O<1>,2|N<3>,3|H<1>}	121.4390	0.000	1	121.4390	0.000	1	121.4390	0.000	1	121.4390	0.000	1	121.9485	1.504	4	118.1320	12.548	43
542	474	727	0:SP3_SP2_SP3	N[5]	C[5]	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5a]-3:N[5a]-3:N[5]-3:	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	N[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5](N[5]C[5a]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	121.9485	1.504	4	118.1320	12.548	43
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	3:3:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,5]-4:N[5,5]-3:N[5]-3:N[5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2)	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2){1|O<2>,2|H<1>,2|S<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2{6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	108.2030	0.000	1	108.2030	0.000	1	109.1845	1.927	2	109.1845	1.927	2	108.0176	4.882	5	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	3:3:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,5]-4:N[5,5]-3:N[5]-3:N[5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2)	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]N[5]2){1|O<2>,2|H<1>,2|S<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2{6|C<3>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	110.1660	0.000	1	110.1660	0.000	1	109.1845	1.927	2	109.1845	1.927	2	108.0176	4.882	5	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	3:4:2:	3:4:3:4:	3:3:3:	C[5,6a]-3:C[3x5]-4:O[5]-2:	N[5,5]-3:C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(O[5]C[5])	C[3x5](N[5,5]C[5,6a]O[5])(C[5,5]C[5]2H)(C[5]C[5,6a]O)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3x5](N[5,5]C[5,6a]O[5])(C[5,5]C[5]2H)(C[5]C[5,6a]O)(C[5]N[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	108.0176	4.882	5	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	109.5230	0.000	1	108.0176	4.882	5	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	104.4790	0.000	1	104.4790	0.000	1	104.4790	0.000	1	104.4790	0.000	1	108.0176	4.882	5	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.5185	0.276	2	109.5185	0.076	2	109.5185	0.076	2	109.5185	0.076	2	109.5185	0.076	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:	N[5,5]-3:C[5]-3:C[3]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5])	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[3]C[3]2H)(C[5]C[5]CN)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[3]C[3]2H)(C[5]C[5]CN){1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.5030	0.000	1	107.5030	0.000	1	107.5030	0.000	1	107.5005	0.000	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:	N[5,5]-3:C[5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(O[5]C[5])	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	107.4980	0.000	1	107.4980	0.000	1	107.4980	0.000	1	107.5005	0.000	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	108.8805	0.093	2	108.8805	0.009	2	108.8805	0.009	2	108.7560	0.051	3	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	108.7560	0.051	3	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.4100	0.030	2	109.4100	0.001	2	109.4410	0.131	4	109.4410	0.131	4	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.0310	0.000	1	109.0310	0.000	1	109.4410	0.131	4	109.4410	0.131	4	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.9130	0.000	1	109.9130	0.000	1	109.4410	0.131	4	109.4410	0.131	4	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	111.5230	0.000	1	110.5790	1.782	2	110.5790	1.782	2	110.5790	1.782	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.6350	0.000	1	110.5790	1.782	2	110.5790	1.782	2	110.5790	1.782	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]O){2|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6]HH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	110.2565	0.046	2	110.2565	0.002	2	109.9933	0.294	6	109.9933	0.294	6	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	110.2090	0.692	2	110.2090	0.478	2	109.9933	0.294	6	109.9933	0.294	6	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(H){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	109.9020	0.000	1	109.9020	0.000	1	109.9933	0.294	6	109.9933	0.294	6	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	109.1270	0.000	1	109.1270	0.000	1	109.9933	0.294	6	109.9933	0.294	6	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	110.2520	0.000	1	110.2520	0.000	1	110.1545	0.019	2	110.1545	0.019	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]O){1|C<4>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	110.0570	0.000	1	110.0570	0.000	1	110.1545	0.019	2	110.1545	0.019	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	110.5780	0.000	1	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:2:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	103.8070	0.000	1	103.8070	0.000	1	103.8070	0.000	1	103.8070	0.000	1	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN){1|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.7850	0.000	1	107.7850	0.000	1	108.1645	0.288	2	108.1645	0.288	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.5440	0.000	1	108.5440	0.000	1	108.1645	0.288	2	108.1645	0.288	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:P[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO)	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO){2|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	109.8050	1.263	2	109.8050	1.595	2	109.8050	1.595	2	109.8050	1.595	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	106.6540	2.114	2	106.6540	4.470	2	106.6540	4.470	2	106.6540	4.470	2	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	112.5115	0.077	2	112.5115	0.006	2	112.5115	0.006	2	111.9410	0.979	3	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	111.9410	0.979	3	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:4:	3:3:2:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	114.8150	0.000	1	109.4365	4.031	33	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[5,6a]	4:3:3:	3:4:3:2:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	110.3475	0.669	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[5,6a]	4:3:4:	3:4:3:3:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-4:	N[5,6,6]-3:C[6,6]-4:C[5]-3:N[6,6]-3:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.7690	0.000	1	109.7690	0.000	1	109.7690	0.000	1	109.7690	0.000	1	110.3475	0.669	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6,6]	C[5,5,3x6]	C[5,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[5,5,3x6]-4:C[5,6a]-3:C[6,6]-3:	N[5,6,6]-3:C[5,5]-4:N[5,6,6]-3:C[6,6]-4:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC)	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>,3|C<4>}	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:	3:4:2:4:	3:3:3:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:	N[5,6,6]-3:C[3x6]-4:O[5]-2:C-4:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	104.4750	0.095	2	104.4750	0.009	2	104.4750	0.009	2	104.4750	0.009	2	104.3557	0.047	3	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[5,6a]	4:4:3:	3:4:3:2:	3:3:3:	C[5,6,6]-4:C[3x6]-4:C[5,6a]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:O[5]-2:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.1170	0.000	1	104.3557	0.047	3	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|Cl<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	108.2530	0.000	1	108.2530	0.000	1	107.8855	2.773	6	107.8855	2.773	6	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	107.6260	0.000	1	107.4630	0.053	2	107.8855	2.773	6	107.8855	2.773	6	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){4|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,3|O<1>,6|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.3000	0.000	1	107.4630	0.053	2	107.8855	2.773	6	107.8855	2.773	6	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	111.0120	0.000	1	108.0447	6.622	3	107.8855	2.773	6	107.8855	2.773	6	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.5610	0.190	2	108.0447	6.622	3	107.8855	2.773	6	107.8855	2.773	6	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6,6]-4:N[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:4:	3:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){3|H<1>,4|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	106.9240	0.000	1	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:4:	4:4:3:2:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[3x6]-4:N[5,6]-3:O[5]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,5,6,6](C[5,5,6]C[5,6a]2C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a]){3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	108.0853	2.104	10	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:N[5]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	106.6750	0.000	1	108.7900	2.700	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.2640	0.000	1	109.2640	0.000	1	109.4810	0.094	2	109.4810	0.094	2	108.7900	2.700	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	109.6980	0.000	1	109.6980	0.000	1	109.4810	0.094	2	109.4810	0.094	2	108.7900	2.700	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	110.2530	0.076	2	110.2530	0.006	2	110.2530	0.006	2	108.9293	5.259	3	108.7900	2.700	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:N[5]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.2820	0.000	1	106.2820	0.000	1	106.2820	0.000	1	108.9293	5.259	3	108.7900	2.700	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:4:	3:4:3:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[5,6]-4:C[5]-3:O[5]-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](N[5,6]C[5,6a]C[6])(C[5,6]C[5]O[6]H)(C[5]C[5,6a]O)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	108.7900	2.700	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[6,6]-4:C[5]-3:N[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C)	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	111.2370	0.000	2	111.2370	0.000	2	111.2370	0.000	2	111.2370	0.000	2	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H)	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H){2|H<1>,7|C<3>}	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	108.9930	1.866	2	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	108.9930	1.866	2	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	109.5440	0.000	1	109.2785	0.357	35	109.2785	0.357	35	109.2785	0.357	35	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	109.3055	0.412	4	109.2785	0.357	35	109.2785	0.357	35	109.2785	0.357	35	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	109.2342	0.670	25	109.2785	0.357	35	109.2785	0.357	35	109.2785	0.357	35	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	109.4254	0.401	5	109.2785	0.357	35	109.2785	0.357	35	109.2785	0.357	35	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1	109.2616	0.808	42	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:N[5]-3:C[6]-4:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	107.6510	0.494	2	107.6510	0.244	2	107.6510	0.244	2	107.1165	3.992	4	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O){4|C<3>,5|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	104.2810	0.000	1	104.2810	0.000	1	104.2810	0.000	1	107.1165	3.992	4	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	107.1165	3.992	4	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]S)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]S)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,3|C<3>,4|H<1>}	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){2|C<3>,8|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	104.1440	0.000	1	104.1440	0.000	1	106.5730	4.451	3	106.5730	4.451	3	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	107.6260	0.000	1	107.6260	0.000	1	106.5730	4.451	3	106.5730	4.451	3	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	107.9490	0.000	1	107.9490	0.000	1	106.5730	4.451	3	106.5730	4.451	3	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6]-4:N[5,6]-3:C[5]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5])	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]N[5]){1|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C)(H){2|N<2>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	110.7960	0.000	1	110.7960	0.000	1	110.7960	0.000	1	109.7150	2.337	2	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	109.7150	2.337	2	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH){3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:4:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:4:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	106.6235	0.545	2	106.6235	0.297	2	106.6235	0.297	2	106.6235	0.297	2	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:C[5]-3:C-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,7|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5]C[5,6a]C[6a]H)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	106.3000	0.000	1	106.3000	0.000	1	106.3000	0.000	1	106.3000	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.2700	0.000	1	110.2700	0.000	1	110.2700	0.000	1	110.2700	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:N[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){3|H<1>,8|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	111.1200	0.252	3	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]C){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	111.1200	0.252	3	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	111.1200	0.252	3	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:4:	3:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC){1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:4:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|O<1>,3|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	109.9315	0.083	2	109.9315	0.007	2	109.9315	0.007	2	109.9315	0.007	2	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:4:	3:4:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	108.9012	4.172	29	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5a,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH)	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[5a,6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6,6a](N[5,6]C[5a,6]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|N<2>,1|N<3>,3|C<3>,6|H<1>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	110.9249	8.197	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5]	C[5,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<4>,3|C<3>,6|H<1>}	110.0140	0.000	1	109.9220	0.057	3	111.0335	4.980	4	111.0335	4.980	4	110.9249	8.197	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5]	C[5,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){4|C<3>,6|H<1>}	109.8760	0.320	2	109.9220	0.057	3	111.0335	4.980	4	111.0335	4.980	4	110.9249	8.197	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5]	C[5,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|O<1>,8|H<1>}	114.3680	0.000	1	114.3680	0.000	1	111.0335	4.980	4	111.0335	4.980	4	110.9249	8.197	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5]	C[5,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	110.9249	8.197	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5,6]	C[5]	C[5,6,6a]	3:4:4:	3:4:2:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:P[5]-4:O-2:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	110.9249	8.197	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[3x5,6]	C[5,6a]	4:3:3:	4:4:2:3:	3:3:3:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(N[5]C[5,6a]C){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	109.7825	3.223	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[3x5,6]	C[5,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[5,6]-4:N[5]-3:N[5,5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>,4|C<4>}	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2){1|O<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	109.7825	3.223	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[3x5]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H)	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[3x5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	109.7231	1.245	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[3x5]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:H-1:	C[3x5]-4:C[5,6]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]H)(N[5]C[5]C)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>,4|C<4>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]H)(N[5]C[5]C){1|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	110.4145	0.906	2	110.4145	0.820	2	110.4145	0.820	2	110.4145	0.820	2	109.7231	1.245	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[3x5]	C[5,6a]	4:3:4:	4:3:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,5]-4:N[5,5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2{6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	109.7231	1.245	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[3x5]	C[5,6a]	4:3:4:	4:4:3:2:	3:3:3:	C[3x5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,4|C<4>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.9740	0.000	1	108.9680	0.000	2	108.9680	0.000	2	108.9680	0.000	2	109.7231	1.245	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[3x5]	C[5,6a]	4:3:4:	4:4:3:2:	3:3:3:	C[3x5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5,6]-4:N[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5])	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<4>,4|C<3>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(O[5]C[5]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.9620	0.000	1	108.9680	0.000	2	108.9680	0.000	2	108.9680	0.000	2	109.7231	1.245	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[3x5]	C[5,6a]	4:3:4:	4:4:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5,6]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(N[5]C[5]C)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>,4|C<4>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(N[5]C[5]C){1|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	109.7231	1.245	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,3x6]	C[5,6a]	4:3:1:	4:4:4:3:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H){3|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	105.2150	0.000	1	105.2150	0.000	1	105.8050	0.696	2	105.8050	0.696	2	106.6303	2.392	3	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,3x6]	C[5,6a]	4:3:1:	4:4:4:3:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H)	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H){3|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	106.3950	0.000	1	106.3950	0.000	1	105.8050	0.696	2	105.8050	0.696	2	106.6303	2.392	3	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,3x6]	C[5,6a]	4:3:3:	4:4:4:3:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C-3:	C[5,5,6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	106.6303	2.392	3	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,4x6]	C[5,6a]	4:3:3:	4:4:4:3:	3:3:3:	C[5,4x6]-4:C[5,6a]-3:C-3:	C[5,5,3x6]-4:C[3x6]-4:C[6,6]-4:N[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO)	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C)	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,4x6](C[5,5,3x6]C[5,3x6]C[5,6a]C[5,6])(C[3x6]C[6,6]O[6]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,3x6]	C[5,6a]	4:3:3:	4:4:4:3:	3:3:3:	C[5,5,3x6]-4:C[5,6a]-3:C-3:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H)	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,5,3x6](C[3x5,6,6]C[5,3x6]C[5,6a]C[5,5])(C[5,6,6]C[6,6]C[5]O)(C[6,6]C[6,6]HH)(N[5]C[5,6a]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	107.1630	0.000	1	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,1|H<1>,8|C<3>}	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C){10|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	110.8965	0.171	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:4:3:3:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.8965	0.171	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.8030	0.000	1	109.8030	0.000	1	110.4075	0.731	2	110.4075	0.731	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]C)(H){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	111.0120	0.000	1	111.0120	0.000	1	110.4075	0.731	2	110.4075	0.731	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	3:4:4:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	110.3040	0.396	2	110.3040	0.157	2	110.3040	0.157	2	110.3040	0.157	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]H)(C[6]C[5,6]O)(O[5]C[5]){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.0300	0.000	2	106.0300	0.000	2	106.0300	0.000	2	106.0300	0.000	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	106.7920	0.000	1	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	104.9655	0.442	2	104.9655	0.195	2	104.9655	0.195	2	104.9655	0.195	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]2C[6])(C[6,6]N[6,6]C[6]H)(N[5]C[5,6a]H)(O[5]C[5,6a]){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:4:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HN)(O[5]C[5]){3|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.9040	0.512	2	110.9040	0.262	2	110.9040	0.262	2	110.9040	0.262	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,6](C[5,5,6]C[5,6a]C[3,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[3,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.0410	0.000	1	108.0410	0.000	1	107.5910	0.405	2	107.5910	0.405	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	107.1410	0.000	1	107.1410	0.000	1	107.5910	0.405	2	107.5910	0.405	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:3:	4:4:3:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:C[6,6]-4:N[5]-3:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]N[6]H)(N[5]C[5,6a]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:3:	4:4:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	111.9810	0.000	1	111.9810	0.000	1	111.0870	1.598	2	111.0870	1.598	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:3:	4:4:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6]-4:N[5]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.1930	0.000	1	110.1930	0.000	1	111.0870	1.598	2	111.0870	1.598	2	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3){3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Br<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.3490	0.000	1	109.3490	0.000	1	109.2770	0.770	6	109.3061	0.648	7	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.9590	1.304	2	109.2626	0.961	5	109.2770	0.770	6	109.3061	0.648	7	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.8450	0.000	1	109.2626	0.961	5	109.2770	0.770	6	109.3061	0.648	7	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	108.2630	0.000	1	109.2626	0.961	5	109.2770	0.770	6	109.3061	0.648	7	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.2870	0.000	1	109.2626	0.961	5	109.2770	0.770	6	109.3061	0.648	7	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,5,6,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5,6](C[5,5,6,6]C[5,5,3x6]C[5,6a]C[6])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.3061	0.648	7	108.8910	3.709	26	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,5a]	3:4:4:	3:4:3:3:	3:3:3:	C[5,5a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S){2|H<1>,5|C<3>}	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	106.1275	4.272	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,5a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,5a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5a]-3:N[5a]-3:N[5]-3:	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S)	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,5a]C[5]H)(N[5]C[5,5a]S)(O[5]C[5])(H){1|C<3>,1|N<3>,4|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	104.6660	0.000	1	104.6660	0.000	1	104.6660	0.000	1	104.6660	0.000	1	106.1275	4.272	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){3|C<3>,4|H<1>}	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	N[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]C[5]2)(H)	C[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]HH)(N[5]C[5,6a]H){1|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	111.1840	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]H)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,3|C<3>,3|H<1>}	110.0640	0.000	1	110.0640	0.000	1	109.7500	0.197	2	109.7500	0.197	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(O[5]C[5])(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.4360	0.000	1	109.4360	0.000	1	109.7500	0.197	2	109.7500	0.197	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.2470	0.000	1	109.2470	0.000	1	108.7417	1.658	10	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.0460	0.082	2	107.0460	0.007	2	108.7417	1.658	10	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.0940	0.000	1	108.0940	0.000	1	108.7417	1.658	10	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|I<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.4260	0.000	1	109.4260	0.000	1	108.7417	1.658	10	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.7360	0.000	1	109.7360	0.000	1	108.7417	1.658	10	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	107.7320	0.000	1	107.7320	0.000	1	108.7417	1.658	10	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	111.0640	0.000	1	109.6967	1.639	3	108.7417	1.658	10	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	109.0130	0.689	2	109.6967	1.639	3	108.7417	1.658	10	108.9016	1.774	11	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5]){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	111.1540	0.000	1	111.1540	0.000	1	111.1540	0.000	1	111.1540	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.4930	0.000	1	110.4930	0.000	1	110.4930	0.000	1	110.5920	0.020	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6]-4:C[5]-3:N[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(H)	C[5,5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.6910	0.000	1	110.6910	0.000	1	110.6910	0.000	1	110.5920	0.020	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(COO){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,4|C<3>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6]CC)(N[5]C[5,6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:2:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:N-2:	N[5]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC)	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC){1|H<1>,1|N<3>,1|S<1>,2|C<4>,3|C<3>}	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:2:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	112.8805	0.347	2	112.8805	0.121	2	112.8805	0.121	2	112.8805	0.121	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:2:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-2:	C[5,5]-4:N[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.0917	0.888	3	107.0917	0.789	3	107.0917	0.789	3	107.0917	0.789	3	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C-3:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH){2|C<4>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	109.6950	0.461	4	109.6950	0.213	4	109.6950	0.213	4	109.6950	0.213	4	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H)	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a])	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]N[5,6a]C[5]H)(N[5]C[5,6a]C[6a])(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[5,5]C[6a])(N[5]C[5,5]C[6a])(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	110.9860	1.179	2	110.9860	1.391	2	110.9860	1.391	2	110.9860	1.391	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5])(H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	111.1870	0.000	1	111.1870	0.000	1	110.9360	0.126	2	109.9788	1.333	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5])(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	110.6850	0.000	1	110.6850	0.000	1	110.9360	0.126	2	109.9788	1.333	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.3340	0.000	1	110.3340	0.000	1	109.5003	1.264	4	109.9788	1.333	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.0370	0.000	1	108.0370	0.000	1	109.5003	1.264	4	109.9788	1.333	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.2000	0.000	1	109.2000	0.000	1	109.5003	1.264	4	109.9788	1.333	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O[5]C[5])(H){1|C<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.4300	0.000	1	110.4300	0.000	1	109.5003	1.264	4	109.9788	1.333	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	108.6650	0.375	3	108.6650	0.140	3	108.6650	0.140	3	108.6650	0.140	3	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5,6a]C)(C[5]C[5]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.1780	0.305	2	109.1780	0.093	2	108.9997	0.142	3	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.6430	0.000	1	108.6430	0.000	1	108.9997	0.142	3	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.9030	0.000	1	107.9030	0.000	1	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]N)(N[5]C[5,6a]C)(N[5]N[5,6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	111.5250	0.000	1	111.5250	0.000	1	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	108.4090	0.000	1	108.4090	0.000	1	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.1580	0.000	1	108.1580	0.000	1	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.9680	0.031	4	110.9680	0.001	4	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.2295	0.473	2	111.2295	0.224	2	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	111.8910	0.136	2	111.8910	0.018	2	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.5400	0.000	1	108.0940	0.614	2	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.6480	0.000	1	108.0940	0.614	2	110.1640	2.640	14	109.9585	2.372	17	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO)	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|F<1>,1|N<3>,2|C<4>,2|H<1>}	105.3620	0.000	1	105.3620	0.000	1	105.3620	0.000	1	105.3620	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,2|C<2>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.1543	0.325	4	110.1543	0.106	4	110.1543	0.106	4	110.1543	0.106	4	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO)	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(COO){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:2:2:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3{4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|O<2>}	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	108.8880	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:2:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:S[5]-2:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH)	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	116.2090	0.000	1	116.2090	0.000	1	116.2090	0.000	1	116.2090	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<1>,2|H<1>,3|C<3>}	111.1590	0.000	1	111.1590	0.000	1	111.1590	0.000	1	110.9055	0.364	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	111.0535	1.242	2	110.8733	0.869	3	110.8733	0.869	3	110.9055	0.364	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	110.5130	0.000	1	110.8733	0.869	3	110.8733	0.869	3	110.9055	0.364	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH)	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<1>,3|C<3>}	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	110.9055	0.364	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S){1|O<1>,2|H<1>,3|C<3>}	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	110.9055	0.364	6	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]N[5]C){4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	109.8590	0.724	2	109.8590	0.524	2	109.8590	0.524	2	109.8590	0.524	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[3x5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]S)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	110.6160	1.076	8	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.9530	0.000	1	110.9647	0.126	4	110.9601	0.150	7	110.6160	1.076	8	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.9687	0.434	3	110.9647	0.126	4	110.9601	0.150	7	110.6160	1.076	8	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.9350	0.723	2	110.9540	0.262	3	110.9601	0.150	7	110.6160	1.076	8	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.9920	0.000	1	110.9540	0.262	3	110.9601	0.150	7	110.6160	1.076	8	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	111.0870	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[3x5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	109.0665	0.238	2	109.0665	0.057	2	109.0665	0.057	2	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.1450	0.000	1	111.0735	1.724	2	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	112.0020	0.000	1	111.0735	1.724	2	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.3450	0.000	1	111.3140	0.002	2	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	111.2830	0.000	1	111.3140	0.002	2	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.1180	0.000	1	109.1180	0.000	1	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.7575	0.784	2	110.7575	0.615	2	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.2240	0.946	2	108.2240	0.895	2	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.9130	0.000	1	108.9130	0.000	1	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.5510	0.000	1	110.5510	0.000	1	110.1200	1.855	11	109.8016	1.918	14	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	107.5565	0.128	2	108.0260	0.669	3	107.9224	0.415	5	108.6460	1.934	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	108.9650	0.000	1	108.0260	0.669	3	107.9224	0.415	5	108.6460	1.934	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	108.1140	0.000	1	108.1140	0.000	1	107.9224	0.415	5	108.6460	1.934	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	107.4200	0.000	1	107.4200	0.000	1	107.9224	0.415	5	108.6460	1.934	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	110.8045	0.357	2	110.8045	0.128	2	110.8045	0.128	2	108.6460	1.934	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.4300	0.000	1	108.2965	1.502	2	108.2965	1.502	2	108.6460	1.934	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.1630	0.000	1	108.2965	1.502	2	108.2965	1.502	2	108.6460	1.934	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-4:N[5]-3:C[5]-4:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3)	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2H)(C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	105.8140	0.000	1	105.8140	0.000	1	105.8140	0.000	1	105.8140	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3){1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:4:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	108.3710	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	108.1087	0.554	3	108.1087	0.307	3	108.1087	0.307	3	108.1087	0.307	3	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.2160	0.000	1	111.0575	0.050	2	111.0575	0.050	2	109.4246	1.772	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.8990	0.000	1	111.0575	0.050	2	111.0575	0.050	2	109.4246	1.772	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	109.4246	1.772	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.1805	0.691	2	109.1805	0.477	2	109.1132	0.217	4	109.4246	1.772	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.0460	0.396	2	109.0460	0.157	2	109.1132	0.217	4	109.4246	1.772	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,3|C<3>,3|H<1>}	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	109.4246	1.772	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6]-4:C[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,3|H<1>}	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	109.4246	1.772	9	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	115.8220	0.000	1	115.8220	0.000	1	115.8220	0.000	1	115.8220	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	109.3800	0.000	1	109.3800	0.000	1	109.1012	0.680	5	109.1012	0.680	5	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	109.0315	0.935	4	109.0315	0.874	4	109.1012	0.680	5	109.1012	0.680	5	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-4:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.2247	0.379	3	110.2247	0.144	3	110.2247	0.144	3	110.2247	0.144	3	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	110.0545	6.527	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	110.0545	6.527	2	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	111.3720	0.467	2	111.3720	0.218	2	110.4867	2.460	3	109.5950	4.821	4	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	108.7160	0.000	1	108.7160	0.000	1	110.4867	2.460	3	109.5950	4.821	4	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	106.9200	0.000	1	106.9200	0.000	1	106.9200	0.000	1	109.5950	4.821	4	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:4:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6]-4:N[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(OH){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	109.7020	2.866	143	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(N[5]C[5,6a]H)(H){1|H<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	108.4155	4.679	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6,6]	C[5,6a]	4:3:4:	4:3:4:4:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	108.4155	4.679	2	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	N[5]-3:S[5]-2:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(H)	C[5,6](N[5]C[5,6a]H)(S[5]C[5,6a])(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5]C[5,6a]H)(S[5]C[5,6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	116.2020	2.984	2	116.2020	8.904	2	116.2020	8.904	2	113.6397	24.149	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:O-1:	N[5]-3:N[5]-2:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O)	C[5,6](N[5]C[5,6a]O)(N[5]C[5,6a])(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5]C[5,6a]O)(N[5]C[5,6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	113.6397	24.149	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5]-3:N[5]-3:C[6]-4:O[6]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	109.0410	0.000	1	109.4325	0.307	2	109.4325	0.307	2	109.4325	0.307	2	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5]-3:N[5]-3:C[6]-4:O[6]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	109.8240	0.000	1	109.4325	0.307	2	109.4325	0.307	2	109.4325	0.307	2	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	108.4310	0.000	1	108.4310	0.000	1	108.4310	0.000	1	107.5627	2.533	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	105.7260	0.000	1	105.7260	0.000	1	105.7260	0.000	1	107.5627	2.533	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	107.5627	2.533	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	108.9440	0.489	8	108.8764	0.262	10	108.8764	0.262	10	108.8764	0.262	10	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	108.6060	0.707	2	108.8764	0.262	10	108.8764	0.262	10	108.8764	0.262	10	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[3x6]CC)(N[5]C[5,6a]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,2|C<4>,4|H<1>}	107.6070	0.000	2	107.6070	0.000	2	107.6070	0.000	2	107.6070	0.000	2	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	109.8490	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	3:4:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]C){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.8090	0.000	1	108.8090	0.000	1	108.7373	0.006	3	108.7373	0.006	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	3:4:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	N[5]-3:C[5]-4:O[6]-2:C[6]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[5,6](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.7015	0.069	2	108.7015	0.005	2	108.7373	0.006	3	108.7373	0.006	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.3810	0.000	1	109.3810	0.000	1	109.3810	0.000	1	109.3810	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	107.0550	0.105	2	107.0550	0.011	2	107.9297	1.790	6	107.9297	1.790	6	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	106.6360	0.000	1	106.6360	0.000	1	107.9297	1.790	6	107.9297	1.790	6	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	107.7040	0.000	1	107.7040	0.000	1	107.9297	1.790	6	107.9297	1.790	6	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	109.9790	0.000	1	109.9790	0.000	1	107.9297	1.790	6	107.9297	1.790	6	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]O)(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.1490	0.000	1	109.1490	0.000	1	107.9297	1.790	6	107.9297	1.790	6	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	109.2335	0.379	4	109.2335	0.144	4	109.1410	0.151	5	109.1410	0.151	5	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.7710	0.000	1	108.7710	0.000	1	109.1410	0.151	5	109.1410	0.151	5	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	3:2:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	3:4:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-3:C[6]-4:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|H<1>,3|C<3>}	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.3810	0.000	1	111.3810	0.000	1	111.5503	0.106	3	110.8537	2.012	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.6350	0.412	2	111.6350	0.169	2	111.5503	0.106	3	110.8537	2.012	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	110.8537	2.012	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.2910	1.044	2	109.2910	1.089	2	108.6020	1.332	26	108.6020	1.332	26	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.4270	0.000	1	108.4270	0.000	1	108.6020	1.332	26	108.6020	1.332	26	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.7870	0.358	2	107.7870	0.128	2	108.6020	1.332	26	108.6020	1.332	26	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	108.4207	1.295	4	108.0513	1.334	6	108.6020	1.332	26	108.6020	1.332	26	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	107.3125	0.009	2	108.0513	1.334	6	108.6020	1.332	26	108.6020	1.332	26	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.4096	1.387	8	109.4096	1.924	8	108.6020	1.332	26	108.6020	1.332	26	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.9705	0.243	4	107.9705	0.059	4	108.6020	1.332	26	108.6020	1.332	26	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.5337	0.639	3	108.5337	0.408	3	108.6020	1.332	26	108.6020	1.332	26	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	107.7870	2.790	2	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	107.7870	2.790	2	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	108.3050	0.000	1	108.3050	0.000	1	106.7610	2.069	3	107.1912	2.120	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	105.4590	0.000	1	105.4590	0.000	1	106.7610	2.069	3	107.1912	2.120	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	106.5190	0.000	1	106.5190	0.000	1	106.7610	2.069	3	107.1912	2.120	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	107.1912	2.120	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:C[6]-4:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(NHH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|Br<1>,1|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	108.8910	0.203	5	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]O)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	108.8985	0.519	4	108.8985	0.270	4	108.8985	0.270	4	108.8910	0.203	5	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	105.8660	0.000	1	105.8660	0.000	1	105.8660	0.000	1	105.8660	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:2:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[3x6]-4:C[5]-3:N[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[3x6]C[4x6]C[6,6]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	111.0990	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	106.9395	0.161	2	106.9395	0.026	2	106.5680	0.427	3	106.5680	0.427	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	105.8250	0.000	1	105.8250	0.000	1	106.5680	0.427	3	106.5680	0.427	3	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|N<3>,4|C<3>}	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	107.7235	1.294	2	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	106.9190	0.000	1	106.9190	0.000	1	106.9190	0.000	1	107.7235	1.294	2	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	1	111.3180	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	106.2650	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:2:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5]C[5,6a]S)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	109.3980	0.000	1	109.3980	0.000	1	109.3980	0.000	1	109.5640	0.911	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.3240	0.000	1	110.2895	0.002	2	110.2895	0.002	2	109.5640	0.911	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	110.2550	0.000	1	110.2895	0.002	2	110.2895	0.002	2	109.5640	0.911	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	109.5640	0.911	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(C[6]C[6]H){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,3|C<3>,3|H<1>}	108.5710	0.239	2	108.5710	0.057	2	108.5710	0.057	2	108.5710	0.057	2	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	106.5440	0.000	1	106.5440	0.000	1	107.5888	0.662	4	107.5888	0.662	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	108.4790	0.000	1	108.4790	0.000	1	107.5888	0.662	4	107.5888	0.662	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.4540	0.000	1	107.6660	0.090	2	107.5888	0.662	4	107.5888	0.662	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	107.8780	0.000	1	107.6660	0.090	2	107.5888	0.662	4	107.5888	0.662	4	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	108.7305	2.996	106	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:1:	4:3:1:1:	3:2:3:	C[5,5a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H){2|H<1>,2|N<2>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]H)(H)2{2|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H){4|H<1>}	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	108.1570	6.483	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:2:	4:3:1:1:	3:2:3:	C[5,5a]-3:C[5]-4:N-2:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO){2|H<1>,2|N<2>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]N)(H)2{2|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N){4|H<1>}	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	108.1570	6.483	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:4:	3:4:1:1:	4:3:3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	B[5a]-4:N[5,5a]-3:N[5]-3:	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|F<1>,1|N<3>,2|C<3>,3|C<4>,8|H<1>}	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|B<4>,1|C<3>,3|C<4>}	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5]){3|C<3>,4|C<4>,4|H<1>}	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	108.1570	6.483	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a,6a]-3:N[5,5a]-3:N[5]-3:	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C)	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C){2|C<3>,5|H<1>}	108.1550	0.126	2	108.1550	0.016	2	108.1550	0.016	2	106.4687	8.539	3	108.1570	6.483	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5a]-3:N[5]-3:	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S)	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<3>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S){3|C<3>,3|H<1>}	103.0960	0.000	1	103.0960	0.000	1	103.0960	0.000	1	106.4687	8.539	3	108.1570	6.483	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:4:	4:3:4:1:	3:2:3:	C[5,5a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]S)(CCHH)(H){1|C<3>,1|N<2>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	108.1570	6.483	7	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HO){1|H<1>,1|O<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(OC)(H){2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-3:N-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)(NCN){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.7010	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-3:C-4:O-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a])	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a,6a]){4|H<1>,5|C<3>}	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.7060	0.228	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	111.2060	0.000	1	110.7305	0.452	2	110.7305	0.452	2	110.7060	0.228	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[5]-3:N[6a]-2:	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a])	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	110.2550	0.000	1	110.7305	0.452	2	110.7305	0.452	2	110.7060	0.228	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	110.7350	0.000	1	110.7350	0.000	1	110.7350	0.000	1	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){1|P<4>,3|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	108.3560	0.000	1	108.3560	0.000	1	108.4197	0.620	9	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	107.7840	0.000	1	107.7840	0.000	1	108.4197	0.620	9	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	109.0940	0.000	1	109.0940	0.000	1	108.4197	0.620	9	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	107.1810	0.000	1	107.1810	0.000	1	108.4197	0.620	9	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	109.4205	0.069	2	109.4205	0.005	2	108.4197	0.620	9	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,6|H<1>}	108.2990	0.526	2	108.2990	0.277	2	108.4197	0.620	9	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|N<2>,6|H<1>}	107.9230	0.000	1	107.9230	0.000	1	108.4197	0.620	9	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,6a]-3:N[5]-3:N[6a]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(N[6a]C[6a]2){2|O<1>,4|H<1>,5|C<3>}	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	108.7676	1.127	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCC)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH){1|C<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	108.1835	0.210	2	108.1835	0.044	2	108.1490	0.029	4	108.1490	0.029	4	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	108.1145	0.199	2	108.1145	0.039	2	108.1490	0.029	4	108.1490	0.029	4	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	P[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO)	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO){2|C<4>,3|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6]2)(N[5]C[5,6a]C[6a])(OC)(H){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	115.6430	0.000	1	115.6430	0.000	1	115.6430	0.000	1	115.6430	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	N[5]-3:S[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(H)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(H){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	110.3940	0.000	1	109.7785	0.758	2	109.7785	0.758	2	110.2993	0.720	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	109.1630	0.000	1	109.7785	0.758	2	109.7785	0.758	2	110.2993	0.720	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	110.4220	0.653	2	110.4220	0.427	2	110.1950	0.368	3	110.2993	0.720	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	109.7410	0.000	1	109.7410	0.000	1	110.1950	0.368	3	110.2993	0.720	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H){2|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	110.9765	1.156	2	110.9765	1.337	2	110.9765	1.337	2	110.2993	0.720	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	110.5960	0.000	1	110.5960	0.000	1	111.0932	0.260	4	110.8396	0.576	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.5315	0.064	2	111.5315	0.004	2	111.0932	0.260	4	110.8396	0.576	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7140	0.000	1	110.7140	0.000	1	111.0932	0.260	4	110.8396	0.576	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	110.8396	0.576	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C[6])(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[6]C[6]2H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.0733	1.079	3	110.0733	1.163	3	110.0733	1.163	3	110.8396	0.576	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.4710	0.000	1	111.4710	0.000	1	111.2343	0.078	3	110.8396	0.576	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|C<4>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.9270	0.000	1	110.9270	0.000	1	111.2343	0.078	3	110.8396	0.576	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.3050	0.000	1	111.3050	0.000	1	111.2343	0.078	3	110.8396	0.576	11	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|C<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.0850	0.000	1	111.2265	1.474	2	110.7763	1.345	3	110.3902	0.986	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|C<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.3680	0.000	1	111.2265	1.474	2	110.7763	1.345	3	110.3902	0.986	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.8760	0.000	1	109.8760	0.000	1	110.7763	1.345	3	110.3902	0.986	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)	C[5](N[5]C[5,6a]H)2(CClHH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)2(CClHH)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.5500	0.000	1	109.8110	0.136	2	109.8110	0.136	2	110.3902	0.986	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)	C[5](N[5]C[5,6a]H)2(CClHH)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H){2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)2(CClHH)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	110.0720	0.000	1	109.8110	0.136	2	109.8110	0.136	2	110.3902	0.986	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2{2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	112.1900	0.000	1	112.3290	0.039	2	112.3290	0.039	2	112.3290	0.039	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]H)(H)2{2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|O<1>,4|H<1>}	112.4680	0.000	1	112.3290	0.039	2	112.3290	0.039	2	112.3290	0.039	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:1:	3:2:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H)	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]N[5,6a]HO)(N[5]C[5,6a]H)(OH)(H){1|C<3>,1|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	106.4440	0.000	1	107.0665	0.775	2	107.0665	0.775	2	107.0665	0.775	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	107.6890	0.000	1	107.0665	0.775	2	107.0665	0.775	2	107.0665	0.775	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	106.6510	0.000	1	106.6510	0.000	1	106.4990	0.046	2	106.4990	0.046	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,4|C<3>}	106.3470	0.000	1	106.3470	0.000	1	106.4990	0.046	2	106.4990	0.046	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)	C[5](C[5]C[5]N[5]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5]N[5]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	107.4550	0.004	2	107.4550	0.000	2	107.4550	0.000	2	107.4720	0.001	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	107.4720	0.001	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:2:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	112.2020	0.473	3	112.2020	0.224	3	112.2020	0.224	3	112.2020	0.224	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:B-3:	N[5]-3:S[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(BC[6a]2)	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(BC[6a]2){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]B)(S[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:B-3:	N[5]-3:C[6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C)	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(BC[6a]C){1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]B)(C[6a]C[6a]2)(S[5]C[5,6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){2|C<3>,3|H<1>}	107.6575	6.369	2	107.6575	40.563	2	107.6575	40.563	2	108.7893	7.403	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	109.3880	0.225	3	109.3880	0.050	3	109.3880	0.050	3	108.7893	7.403	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	108.9530	0.000	1	109.0230	0.010	2	109.0230	0.010	2	108.7893	7.403	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5,6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	109.0930	0.000	1	109.0230	0.010	2	109.0230	0.010	2	108.7893	7.403	7	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:2:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	N[5]-3:C[6a]-3:S[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO)	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO){1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-3:N[5a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(C[5]C[5]N[5]){1|H<1>,8|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[5]-3:C-3:C-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(COO)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(COO)2{1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,5|C<3>}	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	109.9642	0.565	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(CC[6a]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(CC[6a]O){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)2{4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.9642	0.565	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.1890	0.000	1	110.1890	0.000	1	109.5520	0.812	2	109.9642	0.565	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(NCN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.9150	0.000	1	108.9150	0.000	1	109.5520	0.812	2	109.9642	0.565	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|C<4>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	111.0050	0.000	1	111.0050	0.000	1	111.0050	0.000	1	109.9642	0.565	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.4290	0.000	1	110.2985	0.034	2	110.2985	0.034	2	110.2985	0.034	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	110.1680	0.000	1	110.2985	0.034	2	110.2985	0.034	2	110.2985	0.034	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	109.7610	0.000	1	110.1020	0.187	3	110.1020	0.187	3	110.1020	0.187	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,5|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	110.5880	0.000	1	110.1020	0.187	3	110.1020	0.187	3	110.1020	0.187	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){4|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	109.9570	0.000	1	110.1020	0.187	3	110.1020	0.187	3	110.1020	0.187	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Ir)(N[5]C[5]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Ir<8>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Ir)(N[5]C[5]C[6]){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	110.2290	0.000	1	110.2290	0.000	1	110.5730	0.237	2	110.5730	0.237	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Rh<8>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6]){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	110.9170	0.000	1	110.9170	0.000	1	110.5730	0.237	2	110.5730	0.237	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	108.1063	4.647	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	108.1063	4.647	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	106.3390	0.000	1	106.3390	0.000	1	106.3390	0.000	1	108.1063	4.647	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	109.6537	0.263	3	109.6351	0.214	28	109.5908	0.239	30	109.5908	0.239	30	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	109.6329	0.484	25	109.6351	0.214	28	109.5908	0.239	30	109.5908	0.239	30	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	109.3850	0.000	1	109.3850	0.000	1	109.5908	0.239	30	109.5908	0.239	30	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	108.5550	0.000	1	108.5550	0.000	1	109.5908	0.239	30	109.5908	0.239	30	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO)	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6a]C[6]H)(N[5]C[5,6a]C)(H)2{2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	110.2920	0.000	1	110.2920	0.000	1	110.2920	0.000	1	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	109.4990	0.673	2	109.4990	0.453	2	109.4690	0.229	3	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	109.4090	0.000	1	109.4090	0.000	1	109.4690	0.229	3	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	109.8810	0.325	2	109.8810	0.106	2	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	109.2890	0.000	1	109.2890	0.000	1	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	108.4980	0.000	1	107.4710	2.109	2	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	106.4440	0.000	1	107.4710	2.109	2	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C){3|C<3>,6|H<1>}	108.5090	0.000	1	108.5090	0.000	1	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	109.5363	0.152	3	109.5363	0.023	3	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|C<3>,6|H<1>}	107.8070	0.000	1	107.8070	0.000	1	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	108.7740	0.000	1	108.6735	0.020	2	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	108.5730	0.000	1	108.6735	0.020	2	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	109.0898	0.551	6	109.0898	0.303	6	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	110.7160	0.000	1	110.7160	0.000	1	109.0274	0.879	19	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]CH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	P[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO)	C[5](P[5]C[5,6a]CuC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](P[5]C[5,6a]CuC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	110.8688	0.265	4	110.8688	0.070	4	110.8688	0.070	4	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	112.4537	0.505	3	112.4537	0.255	3	112.4537	0.255	3	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:P-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]P)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,6|H<1>}	108.3380	0.081	2	108.3380	0.006	2	108.3380	0.006	2	109.6713	1.906	33	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	110.1183	0.296	3	110.1183	0.088	3	110.5600	0.470	5	109.7880	1.074	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C)(NN)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	111.2225	0.493	2	111.2225	0.243	2	110.5600	0.470	5	109.7880	1.074	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	108.0520	0.000	1	108.0520	0.000	1	109.5050	4.222	2	109.7880	1.074	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	110.9580	0.000	1	110.9580	0.000	1	109.5050	4.222	2	109.7880	1.074	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]C)(OC)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|O<2>,3|H<1>}	108.9750	0.000	1	108.9750	0.000	1	109.1292	0.101	5	109.7880	1.074	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	108.8700	0.000	1	109.2615	0.307	2	109.1292	0.101	5	109.7880	1.074	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	109.6530	0.000	1	109.2615	0.307	2	109.1292	0.101	5	109.7880	1.074	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	109.0740	0.178	2	109.0740	0.032	2	109.1292	0.101	5	109.7880	1.074	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:B[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(B[5]O[5]2)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|B<3>,2|C<3>,3|H<1>}	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	109.4600	0.000	1	109.4600	0.000	1	109.9207	0.719	3	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(COO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	109.4030	0.000	1	109.4030	0.000	1	109.9207	0.719	3	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CC[5a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	110.8990	0.000	1	110.8990	0.000	1	109.9207	0.719	3	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	110.5490	0.000	1	110.5490	0.000	1	110.1595	0.585	10	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	109.6220	0.000	1	109.6220	0.000	1	110.1595	0.585	10	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	109.4627	0.340	3	109.4627	0.116	3	110.1595	0.585	10	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	110.5140	0.000	1	110.5140	0.000	1	110.1595	0.585	10	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	110.1485	1.091	2	110.1485	1.190	2	110.1595	0.585	10	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	111.1560	0.000	1	111.1125	0.004	2	110.1595	0.585	10	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	111.0690	0.000	1	111.1125	0.004	2	110.1595	0.585	10	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO)	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5](C[5]C[5,6a]N[5a]C)(N[5a]C[5a]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	110.1582	0.537	15	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN)	C[5](C[5]C[5,6a]PdC)(N[5]C[5,6a]C)(CCC)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN){1|Pd<4>,1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]PdC)(N[5]C[5,6a]C)(CCC)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Pd<4>,2|H<1>,4|C<3>}	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.9710	0.000	1	110.9710	0.000	1	110.2885	0.932	2	110.2885	0.932	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.6060	0.000	1	109.6060	0.000	1	110.2885	0.932	2	110.2885	0.932	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	109.7745	0.318	6	109.7745	0.101	6	109.1072	1.243	10	109.2876	1.953	14	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CHHO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	107.1460	0.280	2	107.1460	0.078	2	109.1072	1.243	10	109.2876	1.953	14	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	108.7230	0.000	1	108.7230	0.000	1	109.1072	1.243	10	109.2876	1.953	14	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	109.4100	0.000	1	109.4100	0.000	1	109.1072	1.243	10	109.2876	1.953	14	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:Si-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,2|C<3>,4|H<1>}	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.2876	1.953	14	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]C[6a])(CF3)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.2876	1.953	14	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	109.9540	3.543	2	109.9540	12.550	2	109.9540	12.550	2	109.2876	1.953	14	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.6825	0.407	2	109.6825	0.165	2	109.6825	0.165	2	109.6825	0.165	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S)	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO){3|C<3>}	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]S)(H)2{1|C<3>,1|N<2>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	111.1640	0.585	2	111.1640	0.343	2	111.1640	0.343	2	111.1640	0.343	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<2>,3|C<3>}	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	109.4628	1.759	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	108.2440	0.000	1	108.2440	0.000	1	108.7083	0.558	3	109.4628	1.759	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH)	C[5](N[5]C[5,6a]C)2(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	108.9405	0.890	2	108.9405	0.793	2	108.7083	0.558	3	109.4628	1.759	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,4|H<1>}	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	109.4628	1.759	5	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:2:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5a]-3:N[5]-3:S[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH)	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH){4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	108.9760	0.000	1	108.9760	0.000	1	108.9760	0.000	1	108.7480	0.469	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO)	C[5](N[5]C[5,6a]S)2(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>}	C[5](N[5]C[5,6a]S)2(CCH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|S<4>,2|C<3>,3|H<1>}	108.6340	0.928	2	108.6340	0.861	2	108.6340	0.861	2	108.7480	0.469	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	110.7630	0.059	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.7630	0.059	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	110.3007	0.086	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C[5a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	110.4695	0.013	2	110.4695	0.000	2	110.4695	0.000	2	110.3007	0.086	3	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-3:N[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(SC[6a]OO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,3|C<3>,6|H<1>}	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){3|C<3>,4|H<1>}	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	107.2480	0.000	1	107.2480	0.000	1	107.2480	0.000	1	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	109.7430	0.000	1	109.7430	0.000	1	108.8179	5.194	7	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	108.4590	3.574	2	108.4590	12.771	2	108.8179	5.194	7	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	107.3775	0.694	2	107.3775	0.481	2	108.8179	5.194	7	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	112.2850	0.000	1	112.2850	0.000	1	108.8179	5.194	7	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	108.0240	0.000	1	108.0240	0.000	1	108.8179	5.194	7	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5a]2C[5,6a])(N[5]C[5,6a]S)(H)2{1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	110.4880	0.000	2	110.4880	0.000	2	110.4880	0.000	2	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,6|H<1>}	107.0425	0.327	2	107.0425	0.107	2	107.5846	0.422	5	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	107.6210	0.000	1	107.6210	0.000	1	107.5846	0.422	5	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	107.6370	0.000	1	107.6370	0.000	1	107.5846	0.422	5	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HS)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|S<2>,5|H<1>}	108.5800	0.000	1	108.5800	0.000	1	107.5846	0.422	5	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	105.1640	0.000	1	105.1640	0.000	1	104.2187	0.674	3	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	103.8070	0.000	1	103.7460	0.007	2	104.2187	0.674	3	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	103.6850	0.000	1	103.7460	0.007	2	104.2187	0.674	3	107.8071	5.584	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	112.8140	0.000	1	112.8140	0.000	1	109.9980	15.860	2	110.9707	12.316	6	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H){3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	107.1820	0.000	1	107.1820	0.000	1	109.9980	15.860	2	110.9707	12.316	6	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	P[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H){2|C<3>,6|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.7880	0.000	1	116.7880	0.000	1	116.7880	0.000	1	110.9707	12.316	6	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]S)(OC)(H){1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	110.9707	12.316	6	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(OH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	108.8710	1.030	2	108.8710	1.060	2	108.8710	1.060	2	110.9707	12.316	6	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.3840	0.044	2	106.3840	0.002	2	106.3840	0.002	2	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|H<1>,4|C<3>}	110.4000	0.000	1	110.4000	0.000	1	109.5800	8.610	3	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	109.1700	4.026	2	109.1700	16.211	2	109.5800	8.610	3	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	107.6845	0.678	2	107.6845	0.460	2	108.6662	1.169	6	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	108.4620	0.000	1	108.4620	0.000	1	108.6662	1.169	6	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	110.4400	0.000	1	110.4400	0.000	1	108.6662	1.169	6	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	108.5550	0.000	1	108.5550	0.000	1	108.6662	1.169	6	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	109.1710	0.000	1	109.1710	0.000	1	108.6662	1.169	6	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	108.0710	0.000	1	108.0710	0.000	1	108.0710	0.000	1	108.4647	3.259	12	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,2|F<1>,4|C<3>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	110.1700	0.000	1	110.1700	0.000	1	110.1700	0.000	1	109.4560	1.020	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	109.4560	1.020	2	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,3|C<4>}	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	107.6520	0.000	1	107.6520	0.000	1	108.6513	1.625	4	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	109.6610	0.000	1	109.6610	0.000	1	108.6513	1.625	4	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	109.8410	0.000	1	109.8410	0.000	1	108.6513	1.625	4	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	107.4510	0.000	1	107.4510	0.000	1	108.6513	1.625	4	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	P[5]-4:N[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH)	C[5](P[5]C[5,6a]RhO)(N[5]C[5,6a]C)(PRhCC)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH){1|Rh<6>,1|H<1>,1|O<2>,2|C<3>}	C[5](P[5]C[5,6a]RhO)(N[5]C[5,6a]C)(PRhCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|O<2>,1|P<4>,3|H<1>}	112.5630	0.000	1	112.5630	0.000	1	112.5630	0.000	1	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	108.1100	0.000	1	108.1100	0.000	1	108.1100	0.000	1	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]B[5]H)(N[5]C[5,6a]S)(CH3)(H){2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	110.2820	0.000	1	110.2820	0.000	1	108.1957	2.765	9	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	110.3230	0.000	1	110.3230	0.000	1	108.1957	2.765	9	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	108.3635	0.388	2	108.3635	0.151	2	108.1957	2.765	9	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	107.3700	0.000	1	107.3700	0.000	1	108.1957	2.765	9	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	105.7905	0.196	2	105.7905	0.038	2	108.1957	2.765	9	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	109.0160	0.000	1	109.0160	0.000	1	108.1957	2.765	9	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.4620	0.000	1	108.4620	0.000	1	108.1957	2.765	9	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	105.2430	0.000	1	105.2430	0.000	1	105.2430	0.000	1	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	106.7860	0.000	1	106.7860	0.000	1	106.7860	0.000	1	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(C[6]C[6]2H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	108.3367	3.405	18	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP2_SP2_SP3	N[5]	C[5]	C[5,6a]	4:3:4:	6:3:3:1:	3:3:3:	C[5]-4:C[5,6a]-3:Si-4:	C[5x3,5x5,20x6]-6:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si)	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[5]C[5,6a]Si)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	107.8150	0.000	1	109.4701	3.071	281	109.2748	3.294	724
542	474	727	5:SP3_SP2_SP3	N[5,5,6]	C[3x5,6,6]	C[5,6a]	4:3:3:	4:3:4:2:	3:3:3:	C[3x5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[3,5,6]-4:N[5,5,6]-3:C[5,6,6]-4:O[5,5]-2:	N[5,5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O)	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6])	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)	N[5,5,6](C[3x5,6,6]C[3,5,6]C[5,6,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]O){2|H<1>,3|C<3>,4|C<4>}	C[3x5,6,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[5,5,6]C[5,6a]C[5,6])(C[5,6,6]C[5,6]C[6]H)(O[5,5]C[5,5,6]){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.2350	0.000	1	109.0810	0.047	2	109.0810	0.047	2	109.0810	0.047	2	107.8077	4.941	8	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3x5](N[5,5]C[5,6a]C[5])(C[5,5]C[5]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	108.9270	0.000	1	109.0810	0.047	2	109.0810	0.047	2	109.0810	0.047	2	107.8077	4.941	8	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5,5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O)	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2H)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	C[3x5](C[5,5]C[5,6a]C[5]H)(N[5,5]C[5,6a]C[5])(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	107.8077	4.941	8	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	3:4:3:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O)	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3x5](C[5,5]C[5,5]N[5]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,5]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	107.8077	4.941	8	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	110.1420	0.000	1	107.8077	4.941	8	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	104.4705	0.452	2	104.4705	0.204	2	104.4705	0.204	2	104.4705	0.204	2	107.8077	4.941	8	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[3x5]	C[5,6a]	4:3:4:	4:3:3:2:	3:3:3:	C[3x5]-4:C[5,6a]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:N[5,5]-3:O-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,4|H<1>}	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	107.7760	0.000	1	107.8077	4.941	8	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5,6]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:N[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	106.4867	0.193	3	106.4867	0.037	3	106.4867	0.037	3	106.4867	0.037	3	107.5710	2.227	5	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	109.2790	0.000	1	109.2790	0.000	1	109.1975	0.013	2	109.1975	0.013	2	107.5710	2.227	5	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	109.1160	0.000	1	109.1160	0.000	1	109.1975	0.013	2	109.1975	0.013	2	107.5710	2.227	5	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O){1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|O<2>,2|H<1>,2|O<1>,5|C<3>}	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	108.7370	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.4800	0.349	2	109.4800	0.122	2	109.4800	0.122	2	109.0877	0.266	4	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:P-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	109.0877	0.266	4	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-3:P-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2P)(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]Cl)(PO3){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	109.0877	0.266	4	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.3610	0.000	1	110.3610	0.000	1	109.4582	0.231	6	109.4582	0.231	6	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	108.9180	0.000	1	108.9180	0.000	1	109.4582	0.231	6	109.4582	0.231	6	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	109.4235	0.067	2	109.4235	0.005	2	109.4582	0.231	6	109.4582	0.231	6	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	109.3115	0.018	2	109.3115	0.000	2	109.4582	0.231	6	109.4582	0.231	6	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	111.2890	0.000	1	111.2890	0.000	1	110.3823	2.356	3	110.3823	2.356	3	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	111.2480	0.000	1	109.9290	3.480	2	110.3823	2.356	3	110.3823	2.356	3	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.6100	0.000	1	109.9290	3.480	2	110.3823	2.356	3	110.3823	2.356	3	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]N[5]H){1|C<4>,2|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]N[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	110.1695	0.408	2	110.1695	0.166	2	110.1695	0.166	2	110.1695	0.166	2	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(C[5]C[5]O){1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:2:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:S[5]-2:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH)	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	114.8465	0.950	2	114.8465	0.902	2	114.8465	0.902	2	114.8465	0.902	2	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	107.9710	0.000	1	107.9710	0.000	1	107.9710	0.000	1	107.6110	0.107	3	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]N[6a]Cl){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.4310	0.140	2	107.4310	0.020	2	107.4310	0.020	2	107.6110	0.107	3	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:S[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO){3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:B[5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC)	C[5,5](N[5,5]C[5,6a]C[5])(B[5]C[5,6a]N)(C[5]C[5]CC)(CCCH)	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(B[5]C[5,6a]N)(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:4:2:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	105.7180	0.483	3	105.7180	0.233	3	105.7180	0.233	3	105.7180	0.233	3	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	105.9820	0.000	1	105.9820	0.000	1	105.9820	0.000	1	105.9820	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:4:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[6a]-3:N[5]-2:	C[6a,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5]){1|N<2>,5|C<3>,6|H<1>}	106.9320	0.000	1	106.9320	0.000	1	106.9320	0.000	1	107.4375	0.511	2	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:4:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.9430	0.000	1	107.9430	0.000	1	107.9430	0.000	1	107.4375	0.511	2	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:P[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO)	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(P[5]O[5]PdO){2|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]P[5])(C[5]C[5,6a]HH)(C[5]O[5]HH)(H){1|Pd<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	108.1835	1.320	2	108.1835	1.743	2	108.1835	1.743	2	108.1835	1.743	2	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	109.6730	0.342	2	109.6730	0.117	2	110.5572	2.740	5	110.0914	2.027	8	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	108.8150	0.000	1	108.8150	0.000	1	110.5572	2.740	5	110.0914	2.027	8	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	112.3125	0.285	2	112.3125	0.081	2	110.5572	2.740	5	110.0914	2.027	8	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	109.3150	0.408	3	109.3150	0.167	3	109.3150	0.167	3	110.0914	2.027	8	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	P[5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH)	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H){4|C<3>,4|H<1>,6|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	113.8990	0.000	1	113.8990	0.000	1	113.8990	0.000	1	113.8990	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.1897	0.157	3	108.1897	0.025	3	108.1897	0.025	3	108.1897	0.025	3	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	N[5,5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>,2|F<1>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	110.7095	0.223	2	110.7095	0.050	2	110.7095	0.050	2	110.7095	0.050	2	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:3:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[5,6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:4:	3:3:2:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.5210	1.060	3	109.5210	1.123	3	109.5210	1.123	3	109.5210	1.123	3	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:4:	3:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	N[5,5]-3:C[5,5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	107.2125	0.342	2	107.2125	0.117	2	107.2125	0.117	2	107.2125	0.117	2	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:4:	3:3:4:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,2|F<1>,2|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,5]	C[5,5]	C[5,6a]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|C<4>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	109.0986	3.991	57	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,3x6]	C[5,6a]	4:3:4:	4:4:3:2:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6]-4:	C[5,6,6]-4:C[3x6]-4:N[5,6]-3:O[6]-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6])	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,3x6](C[5,6,6]C[5,6a]C[6,6a]C[6])(C[3x6]C[6,6]N[6,6]H)(N[5,6]C[5,6a]C[6])(O[6]C[6]){1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	106.4270	0.000	1	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	106.8735	0.336	4	106.9901	0.101	7	107.0675	0.139	12	107.0675	0.139	12	107.0233	0.152	13	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	107.1457	0.264	3	106.9901	0.101	7	107.0675	0.139	12	107.0675	0.139	12	107.0233	0.152	13	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	107.1758	0.452	5	107.1758	0.204	5	107.0675	0.139	12	107.0675	0.139	12	107.0233	0.152	13	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,5,6,6]	C[5,6a]	4:3:4:	3:3:3:4:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){3|H<1>,4|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	106.4930	0.000	1	107.0233	0.152	13	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:N[5]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	107.5600	0.706	2	107.5600	0.498	2	107.5600	0.498	2	107.5600	0.498	2	107.1648	3.260	5	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:4:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	105.4875	0.166	2	105.4875	0.028	2	105.4875	0.028	2	106.9013	6.011	3	107.1648	3.260	5	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[5,6a]	4:3:4:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[6,6]N[5,6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	106.9013	6.011	3	107.1648	3.260	5	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	109.1822	0.444	5	109.3634	0.160	27	109.3634	0.160	27	109.3634	0.160	27	108.8717	3.012	30	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	109.1899	0.202	14	109.3634	0.160	27	109.3634	0.160	27	109.3634	0.160	27	108.8717	3.012	30	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	109.7804	0.351	8	109.3634	0.160	27	109.3634	0.160	27	109.3634	0.160	27	108.8717	3.012	30	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	100.9960	0.000	1	100.9960	0.000	1	100.9960	0.000	1	100.9960	0.000	1	108.8717	3.012	30	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	106.3550	0.000	1	108.8717	3.012	30	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[5,6a]	4:3:4:	4:3:4:2:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:O-2:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2H)(OH){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	105.9880	0.000	1	105.9880	0.000	1	105.9880	0.000	1	105.9880	0.000	1	108.8717	3.012	30	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C){1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC)	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	110.1570	0.000	1	110.1570	0.000	1	110.1800	0.001	2	110.1800	0.001	2	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	N[5,6]-3:C[5]-3:C[6]-4:O-2:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH)	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6,6])(C[5]C[5,6a]O)(C[6]C[6]HH)(OH){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	110.2030	0.000	1	110.2030	0.000	1	110.1800	0.001	2	110.1800	0.001	2	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:4:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[5]-4:O[6]-2:C-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6,6a])(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	3:4:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(O[6]C[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]2)(N[5,6]C[5,6a]C[6])(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	107.5520	0.000	1	107.5520	0.000	1	107.5520	0.000	1	107.5520	0.000	1	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:4:	3:4:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	107.1040	0.000	1	107.1040	0.000	1	108.4135	3.430	2	108.4135	3.430	2	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5,6]	C[5,6a]	4:3:4:	3:4:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[5]-4:C[6a]-3:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HN)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	109.7230	0.000	1	109.7230	0.000	1	108.4135	3.430	2	108.4135	3.430	2	108.1943	2.468	9	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5]	C[5,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[5,6a]-3:C[6,6a]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH)	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[5,6,6a](N[5,6]C[6,6a]C[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,6|H<1>}	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	110.0195	10.686	2	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5,6]	C[5]	C[5,6,6a]	3:4:4:	3:4:2:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:P[5]-4:O-2:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(P[5]C[5,6a]C[6a]Rh)(OC)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	110.0195	10.686	2	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[3x5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:H-1:	C[3x5]-4:C[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3x5]C[3x5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	N[5](C[3x5]C[3x5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,3|C<4>,4|C<3>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	109.5237	0.710	3	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[3x5]	C[5,6a]	4:3:4:	4:3:3:2:	3:3:3:	C[3x5]-4:C[5,6a]-3:C-4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C)	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5]){5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	109.5237	0.710	3	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[3x5]	C[5,6a]	4:3:4:	4:3:3:3:	3:3:3:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,5]-4:N[5,5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2O)(N[5,5]C[5,6a]2)(N[5]C[5,6a]S)2{6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	109.5237	0.710	3	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	3:4:4:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	109.9805	0.548	2	109.9805	0.300	2	109.9805	0.300	2	109.6920	0.400	3	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	3:4:4:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5,6]-4:S-4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO){2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.6920	0.400	3	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:3:3:4:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:3:4:2:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:O[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]N[6]CH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	109.1410	0.000	1	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	105.1720	0.000	1	105.1720	0.000	1	105.1720	0.000	1	105.1720	0.000	1	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H){1|C<4>,3|C<3>,9|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:2:	4:3:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:O-2:	C[5,6]-4:N[5,6]-3:N[5]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC)	C[5,5,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5]C[6])(N[5]C[5,6a]O)(N[5]C[5]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC){1|C<4>,2|H<1>,6|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5]C[6])(N[5]C[5,6a]O)(N[5]C[5]H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	104.8800	0.000	1	104.8800	0.000	1	104.8800	0.000	1	104.8800	0.000	1	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:3:	4:3:4:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,2|C<3>,8|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	107.9980	0.000	1	107.9980	0.000	1	107.9980	0.000	1	107.9980	0.000	1	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	3:4:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	110.4800	0.000	1	109.3868	0.449	6	109.3868	0.449	6	109.3868	0.449	6	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.6335	0.023	2	109.3868	0.449	6	109.3868	0.449	6	109.3868	0.449	6	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.6130	0.000	1	109.3868	0.449	6	109.3868	0.449	6	109.3868	0.449	6	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.0000	0.000	1	109.3868	0.449	6	109.3868	0.449	6	109.3868	0.449	6	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.9610	0.000	1	109.3868	0.449	6	109.3868	0.449	6	109.3868	0.449	6	108.8310	3.056	17	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5]-3:N[5]-3:N[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H)	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	107.9610	1.297	6	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.6480	0.000	1	107.6480	0.000	1	108.1780	1.268	5	107.9610	1.297	6	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.1410	0.000	1	107.1410	0.000	1	108.1780	1.268	5	107.9610	1.297	6	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.3680	0.000	1	108.0330	0.224	2	108.1780	1.268	5	107.9610	1.297	6	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.6980	0.000	1	108.0330	0.224	2	108.1780	1.268	5	107.9610	1.297	6	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|Br<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	110.0350	0.000	1	110.0350	0.000	1	108.1780	1.268	5	107.9610	1.297	6	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]C)(CNO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]C)(CNO){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,3|C<3>,3|H<1>}	110.2865	0.497	2	110.2865	0.247	2	110.2865	0.247	2	109.4110	0.803	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.8273	0.452	3	108.8273	0.205	3	108.8273	0.205	3	109.4110	0.803	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(C[5]N[5]CC)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(C[5]N[5]CC)(CH3){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|H<1>,4|C<4>}	109.1470	0.000	1	109.1470	0.000	1	109.3100	0.053	2	109.3100	0.053	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:N[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(CClHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(C[5]C[5]HH)(CClHH){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){2|C<4>,2|H<1>,3|C<3>}	109.4730	0.000	1	109.4730	0.000	1	109.3100	0.053	2	109.3100	0.053	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	109.6760	0.000	1	109.3725	0.184	2	109.3725	0.184	2	109.3725	0.184	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5]C[5,6]CH)(N[5]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	109.0690	0.000	1	109.3725	0.184	2	109.3725	0.184	2	109.3725	0.184	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.5440	0.000	1	109.5440	0.000	1	110.1750	0.796	2	110.1750	0.796	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:1:	4:4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5,5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5]C[5,6]CC)(C[5]C[5,6]HH)(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.8060	0.000	1	110.8060	0.000	1	110.1750	0.796	2	110.1750	0.796	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:2:	4:3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-4:O-2:	C[5,5]-4:N[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]O)(C[5]N[5]O)(OH){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|Br<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|O<2>,3|C<3>,3|H<1>}	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-3:C[5]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C[5,5](C[5]C[5,6a]O)2(N[5]C[5,6a]C)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(N[5]C[5,6a]C)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	108.2895	1.184	2	108.2895	1.403	2	108.2895	1.403	2	108.6193	1.028	3	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	108.6193	1.028	3	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-3:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(N[5]C[5,6a]S)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,2|H<1>}	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CC)(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|H<1>,1|N<3>,1|S<1>,3|C<3>,3|C<4>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CC)(C[5]N[5]S){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	108.8030	0.486	2	108.8030	0.237	2	108.3183	0.396	4	108.3183	0.396	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	3:3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]S[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]S[5]N){3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	107.8335	0.107	2	107.8335	0.011	2	108.3183	0.396	4	108.3183	0.396	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	108.1240	0.000	1	108.1240	0.000	1	109.2830	1.461	3	109.5584	0.882	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.1890	0.000	1	109.1890	0.000	1	109.2830	1.461	3	109.5584	0.882	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.5360	0.000	1	110.5360	0.000	1	109.2830	1.461	3	109.5584	0.882	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.1090	0.000	1	109.9715	0.038	2	109.9715	0.038	2	109.5584	0.882	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.8340	0.000	1	109.9715	0.038	2	109.9715	0.038	2	109.5584	0.882	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:O[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.3470	0.666	2	110.3470	0.444	2	110.3470	0.444	2	110.3470	0.444	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	108.1210	0.106	2	108.1210	0.011	2	108.1210	0.011	2	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	109.2860	0.000	1	109.2860	0.000	1	109.2860	0.000	1	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.3090	0.000	1	110.3090	0.000	1	109.2677	1.463	14	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	109.1050	0.000	1	109.1050	0.000	1	109.2677	1.463	14	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.8563	0.863	3	109.8563	0.745	3	109.2677	1.463	14	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.9615	0.158	2	108.9615	0.025	2	109.2677	1.463	14	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|S<2>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.4740	0.000	1	109.4740	0.000	1	109.2677	1.463	14	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.1980	0.000	1	108.4955	5.797	2	109.2677	1.463	14	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.7930	0.000	1	108.4955	5.797	2	109.2677	1.463	14	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.0943	1.634	4	109.0943	2.671	4	109.2677	1.463	14	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	109.6110	0.000	1	109.6110	0.000	1	106.9380	6.297	3	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(C[5]C[5]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	105.6015	1.370	2	105.6015	1.876	2	106.9380	6.297	3	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|Br<1>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.1570	0.000	1	107.1570	0.000	1	107.9895	1.386	2	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	108.8220	0.000	1	108.8220	0.000	1	107.9895	1.386	2	108.7304	2.326	22	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH)	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	110.1590	0.000	1	110.1590	0.000	1	109.7295	0.369	2	109.7295	0.369	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	109.3000	0.000	1	109.3000	0.000	1	109.7295	0.369	2	109.7295	0.369	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.0725	1.451	4	109.0725	2.104	4	109.0725	2.104	4	109.0725	2.104	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	106.7220	0.000	1	106.7220	0.000	1	107.8757	1.749	3	108.1545	1.477	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	109.3190	0.000	1	109.3190	0.000	1	107.8757	1.749	3	108.1545	1.477	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	107.5860	0.000	1	107.5860	0.000	1	107.8757	1.749	3	108.1545	1.477	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|N<4>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(C[5]N[5]CC)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	108.1545	1.477	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	3:4:4:	4:4:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:2:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:S[5]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|Cl<1>,1|H<1>,3|C<3>}	113.7830	0.011	2	113.7830	0.000	2	113.7830	0.000	2	113.7830	0.000	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	3:3:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	N[5,5]-3:N[5]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	3:4:3:4:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	108.3640	0.539	3	108.3640	0.290	3	108.3640	0.290	3	108.3640	0.290	3	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:2:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[3x5]-4:N[3,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[3,5]C[3,5]C[3])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[3,5]C[3,5]C[3])(N[5]C[5,6a]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	109.5750	0.368	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	109.5750	0.368	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	109.5750	0.368	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	109.0000	0.000	1	109.0000	0.000	1	109.1730	0.060	2	109.5750	0.368	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.3460	0.000	1	109.3460	0.000	1	109.1730	0.060	2	109.5750	0.368	5	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|O<2>,4|C<3>}	108.2270	0.146	2	108.2270	0.021	2	108.2270	0.021	2	108.9517	1.586	3	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6]-4:N[5,5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,6]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	108.9517	1.586	3	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:P[5,5]-4:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[5,5](C[5,5]P[5,5]C[6a]N[5])(P[5,5]C[5,6a]O[5]O)(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H){1|O<1>,2|H<1>,9|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	114.2610	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	108.9310	0.066	2	108.9310	0.004	2	108.9310	0.004	2	108.9310	0.004	2	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	106.2620	0.000	1	106.2620	0.000	1	106.8073	0.290	3	107.0740	0.478	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	107.0800	0.365	2	107.0800	0.133	2	106.8073	0.290	3	107.0740	0.478	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:S-4:	C[3x5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H){1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,3|H<1>}	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	107.0740	0.478	4	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:3:3:2:	3:3:3:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	109.4220	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,5]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6]C[5,6]C[6a]O[6])(C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	108.9911	2.253	97	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	109.9900	0.000	1	109.9900	0.000	1	106.3405	26.638	2	107.3803	16.563	3	107.3803	16.563	3	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	102.6910	0.000	1	102.6910	0.000	1	106.3405	26.638	2	107.3803	16.563	3	107.3803	16.563	3	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:S-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]N)(C[3x6]C[6,6]2H)(N[5]C[5,6a]S)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	107.3803	16.563	3	107.3803	16.563	3	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	N[5,6]-3:N[5]-3:C[6]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(CH3)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-3:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	108.9970	0.925	2	108.9970	0.855	2	108.9970	0.855	2	108.9970	0.855	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	3:2:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]Cl)(N[5]C[5,6a]S)(O[6]C[6])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.5540	0.426	4	108.5540	0.181	4	108.0802	2.930	24	108.0802	2.930	24	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.4725	1.404	2	104.4725	1.970	2	108.0802	2.930	24	108.0802	2.930	24	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|Br<1>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	108.7275	1.165	2	108.1600	1.644	3	108.0802	2.930	24	108.0802	2.930	24	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]C){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	107.0250	0.000	1	108.1600	1.644	3	108.0802	2.930	24	108.0802	2.930	24	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.4179	0.552	8	108.4179	0.305	8	108.0802	2.930	24	108.0802	2.930	24	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.7750	0.000	1	107.7750	0.000	1	108.0802	2.930	24	108.0802	2.930	24	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.6993	3.151	4	108.6993	9.931	4	108.0802	2.930	24	108.0802	2.930	24	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	108.1845	0.384	2	108.1845	0.147	2	108.0802	2.930	24	108.0802	2.930	24	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:2:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	105.5870	0.000	2	105.5870	0.000	2	105.5870	0.000	2	106.8907	4.448	10	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	107.2467	2.010	3	107.2467	4.039	3	107.1625	6.910	6	106.8907	4.448	10	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.1620	0.000	1	106.1620	0.000	1	107.1625	6.910	6	106.8907	4.448	10	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	103.9890	0.000	1	103.9890	0.000	1	107.1625	6.910	6	106.8907	4.448	10	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	111.0840	0.000	1	111.0840	0.000	1	107.1625	6.910	6	106.8907	4.448	10	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|C<3>,3|H<1>}	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	106.8907	4.448	10	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	106.8907	4.448	10	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	105.0850	0.000	1	105.0850	0.000	1	105.0850	0.000	1	106.7860	3.829	7	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]S)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	109.5300	0.000	1	109.5300	0.000	1	107.0695	3.919	6	106.7860	3.829	7	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,4|H<1>}	105.9065	1.054	4	105.9065	1.110	4	107.0695	3.919	6	106.7860	3.829	7	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.2610	0.000	1	109.2610	0.000	1	107.0695	3.919	6	106.7860	3.829	7	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH)	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	108.6040	0.318	2	108.6040	0.101	2	108.6040	0.101	2	108.6040	0.101	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	3:4:4:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5,6]O[5,6]C[5]H)(N[5]C[5,6a]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	3:4:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(CCH){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	3:4:4:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[6,6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[6]C[6,6a]CO)(N[5]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	107.3540	0.000	1	107.3540	0.000	1	108.1335	1.215	2	108.1335	1.215	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	108.9130	0.000	1	108.9130	0.000	1	108.1335	1.215	2	108.1335	1.215	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6]-4:N[5,6]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,6]N[5,6]C[5]N[5])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6](C[5,6]N[5,6]C[5]N[5])(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|O<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	109.8900	0.594	2	109.8900	0.353	2	109.8900	0.353	2	109.8900	0.353	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	105.5660	0.000	1	105.5660	0.000	1	106.1177	0.236	3	106.1177	0.236	3	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	106.3935	0.125	2	106.3935	0.016	2	106.1177	0.236	3	106.1177	0.236	3	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:1:	4:3:4:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,5,6,6]-4:N[5]-3:C[6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(N[5]C[5,6a]H)(C[6]C[6]HH)(COO)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(N[5]C[5,6a]H)(C[6]C[6]HH)(COO){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	3:2:2:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Se<2>,2|C<3>,2|H<1>}	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	114.1720	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	3:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){3|C<3>,3|H<1>}	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	105.6400	0.000	1	105.6400	0.000	1	105.6400	0.000	1	105.7135	0.011	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:S-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]S)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S){1|N<3>,3|C<3>,3|H<1>}	105.7870	0.000	1	105.7870	0.000	1	105.7870	0.000	1	105.7135	0.011	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	3:4:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<4>,2|H<1>,3|C<3>}	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	107.1950	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	105.4870	0.000	1	105.4870	0.000	1	105.3705	0.027	2	105.3705	0.027	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	105.2540	0.000	1	105.2540	0.000	1	105.3705	0.027	2	105.3705	0.027	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:2:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:N[5]-3:C[6a]-3:O[6]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:3:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	106.4560	0.000	1	106.4560	0.000	1	106.4560	0.000	1	106.4560	0.000	1	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	106.8160	0.000	1	106.8160	0.000	1	107.9146	0.490	8	107.9994	0.493	9	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.3490	1.247	2	108.0716	0.342	7	107.9146	0.490	8	107.9994	0.493	9	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	107.9673	0.304	4	108.0716	0.342	7	107.9146	0.490	8	107.9994	0.493	9	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	107.9340	0.000	1	108.0716	0.342	7	107.9146	0.490	8	107.9994	0.493	9	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	107.9994	0.493	9	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5,6]	C[5,6a]	4:3:4:	4:4:3:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	108.6935	0.107	2	108.6935	0.011	2	108.6935	0.011	2	108.6935	0.011	2	107.7784	3.517	82	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5]-3:Ge[5a]-3:	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Cr)	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Cr){1|C<3>,4|C<4>,4|H<1>}	107.3820	0.000	1	107.3820	0.000	1	107.5665	0.068	2	107.5665	0.068	2	108.0443	0.185	6	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5,5a]-3:N[5]-3:Ge[5a]-3:	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Mo)	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[5](N[5]C[5,5a]C[3x6])(C[5]N[5,5a]HH)(H)2{1|Ge<3>,1|C<3>,3|C<4>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Mo){1|C<3>,4|C<4>,4|H<1>}	107.7510	0.000	1	107.7510	0.000	1	107.5665	0.068	2	107.5665	0.068	2	108.0443	0.185	6	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:4:	4:3:1:1:	3:2:3:	C[5,5a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{1|N<2>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){3|C<3>,3|H<1>}	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	108.0443	0.185	6	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,5a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,5a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:N[5]-3:	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S)	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a]H)(N[5]C[5,5a]S)(H)2{4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S){3|C<3>,3|H<1>}	108.2977	0.292	3	108.2977	0.086	3	108.2977	0.086	3	108.2977	0.086	3	108.0443	0.185	6	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]HH){1|N<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]HH)(H)2{1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH){1|Rh<8>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Rh)(N[5]C[5]C[6]){1|N<3>,2|C<3>,6|H<1>}	110.2805	0.165	2	110.2805	0.027	2	110.2805	0.027	2	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5,6a]C[5,6a]2)(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|C<3>,2|N<2>,6|H<1>}	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	106.3640	0.000	1	106.3640	0.000	1	107.4048	1.657	10	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	107.6190	0.000	1	107.6190	0.000	1	107.4048	1.657	10	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<3>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	109.3660	0.000	1	107.9283	3.896	3	107.4048	1.657	10	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	107.2095	2.166	2	107.9283	3.896	3	107.4048	1.657	10	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	106.0830	0.000	1	106.0830	0.000	1	107.4048	1.657	10	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,2|N<2>,6|H<1>}	106.0960	0.000	1	106.0960	0.000	1	107.4048	1.657	10	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<2>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	108.5400	0.000	1	108.0337	0.261	3	107.4048	1.657	10	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]2)(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)2{2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	107.7805	0.371	2	108.0337	0.261	3	107.4048	1.657	10	107.9868	2.293	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|C<4>}	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	106.1360	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5a]-3:N[5]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H)	C[5](C[5a]N[5a]S[5a])2(N[5]C[5,6a]H)(S[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H){1|H<1>,2|C<3>,2|N<2>,2|S<2>}	C[5](C[5a]N[5a]S[5a])2(N[5]C[5,6a]H)(S[5]C[5,6a]){6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	109.7230	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	109.8285	0.002	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	109.7950	0.000	1	109.7950	0.000	1	109.7950	0.000	1	109.8285	0.002	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	107.7390	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(H)2{2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(CN)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	106.9960	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	106.5150	0.000	1	107.6430	1.474	3	107.0984	1.309	5	107.0984	1.309	5	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	108.2070	1.020	2	107.6430	1.474	3	107.0984	1.309	5	107.0984	1.309	5	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,2|H<1>,3|C<3>}	106.2815	0.250	2	106.2815	0.062	2	107.0984	1.309	5	107.0984	1.309	5	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]H)(CH3)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	107.6095	0.800	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(C[6]C[6]2H)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	107.6095	0.800	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:3:4:3:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(CC[6a]HH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]H)(CC[6a]HH)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5]N[5]H)(N[5]C[5,6a]H)(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,5|H<1>}	107.6757	1.204	4	107.6757	1.450	4	107.6757	1.450	4	107.6757	1.450	4	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH)	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH){1|H<1>,1|S<2>,5|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	107.0300	0.000	1	107.0300	0.000	1	107.0300	0.000	1	107.0300	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:2:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:O-2:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	106.3810	0.423	2	106.3810	0.179	2	106.3810	0.179	2	106.3810	0.179	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(C[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]N)(H){1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	107.0250	1.136	2	107.0250	1.290	2	107.0250	1.290	2	107.0250	1.290	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C){1|C<3>,3|C<4>,6|H<1>}	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	107.2040	2.741	4	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	107.2040	2.741	4	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C){4|C<3>,5|H<1>}	106.2550	0.764	2	106.2550	0.583	2	106.2550	0.583	2	107.2040	2.741	4	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(NN)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	110.4440	0.000	1	110.4440	0.000	1	110.4440	0.000	1	109.9815	0.428	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,5]-4:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(OC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.9815	0.428	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:2:2:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6]-4:N[5]-3:N-2:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO)	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6a]C[6]O[6])(N[5]C[5,6a]C)(NN)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	109.6965	0.392	4	109.6965	0.154	4	109.6478	0.113	6	108.5527	2.790	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CC[6a]2O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	109.7430	0.000	1	109.7430	0.000	1	109.6478	0.113	6	108.5527	2.790	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.3580	0.000	1	109.3580	0.000	1	109.6478	0.113	6	108.5527	2.790	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:N-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]N)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	106.3623	0.286	3	106.3623	0.082	3	106.3623	0.082	3	108.5527	2.790	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:2:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-2:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H){1|Rh<6>,1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	110.3240	0.000	1	110.3240	0.000	1	110.3240	0.000	1	111.0605	1.085	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:2:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	N[5]-3:S[5]-2:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO)	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]S)(S[5]C[5,6a])(CCH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,3|H<1>}	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.0605	1.085	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	107.9990	0.000	1	107.9990	0.000	1	107.8915	0.023	2	107.8915	0.023	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:2:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	107.7840	0.000	1	107.7840	0.000	1	107.8915	0.023	2	107.8915	0.023	2	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(OC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	107.2770	0.252	2	107.2770	0.063	2	107.2770	0.063	2	107.9457	1.373	3	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	107.9457	1.373	3	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH)	C[5](N[5]C[5,6a]C)2(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	104.7650	0.000	1	104.7650	0.000	1	104.7650	0.000	1	104.7650	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	107.5840	0.000	1	107.5840	0.000	1	107.2285	0.253	2	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	106.8730	0.000	1	106.8730	0.000	1	107.2285	0.253	2	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	108.3640	0.000	1	108.3640	0.000	1	106.7188	0.884	6	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	106.2070	0.000	1	106.2070	0.000	1	106.7188	0.884	6	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	106.9375	0.213	2	106.9375	0.045	2	106.7188	0.884	6	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	105.7370	0.000	1	105.7370	0.000	1	106.7188	0.884	6	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	106.1300	0.000	1	106.1300	0.000	1	106.7188	0.884	6	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	110.1390	0.000	1	110.1390	0.000	1	109.0375	2.427	2	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5,6a]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.9360	0.000	1	107.9360	0.000	1	109.0375	2.427	2	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	107.7540	0.000	1	107.7540	0.000	1	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(H)2{4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	108.6990	0.000	1	108.6990	0.000	1	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	109.3120	0.000	1	109.3120	0.000	1	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	105.0800	0.000	1	105.0800	0.000	1	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	105.2190	0.000	1	104.6830	0.575	2	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	104.1470	0.000	1	104.6830	0.575	2	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	108.2570	0.000	1	106.8505	3.956	2	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	105.4440	0.000	1	106.8505	3.956	2	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	107.1200	0.000	1	107.1200	0.000	1	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	107.6085	0.641	2	107.6085	0.411	2	106.9317	2.891	11	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:1:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(H)2{2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	104.1860	0.000	1	104.1860	0.000	1	104.1860	0.000	1	107.1257	2.979	23	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,4|C<3>}	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	106.7220	0.000	1	106.7220	0.000	1	106.8195	0.019	2	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	106.9170	0.000	1	106.9170	0.000	1	106.8195	0.019	2	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	107.2080	1.325	3	107.2080	1.755	3	108.2833	2.133	6	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]S)(CC[6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	109.1250	0.000	1	109.1250	0.000	1	108.2833	2.133	6	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(N[5]C[5,6a]S)(CC[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	109.2140	0.000	1	109.2140	0.000	1	108.2833	2.133	6	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCC)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	109.7370	0.000	1	109.7370	0.000	1	108.2833	2.133	6	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[5]C[5]2)(H){1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	108.3980	0.747	3	108.3980	0.559	3	108.3980	0.559	3	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	104.5550	0.000	1	104.5550	0.000	1	104.5550	0.000	1	107.7621	2.399	14	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	108.7680	0.302	4	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	109.2710	0.000	1	109.2710	0.000	1	108.6590	0.749	2	108.7680	0.302	4	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	108.0470	0.000	1	108.0470	0.000	1	108.6590	0.749	2	108.7680	0.302	4	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	108.7680	0.302	4	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(B[5]O[5]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(B[5]O[5]2)(CC[6a]HH){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	108.4130	0.000	1	108.4130	0.000	1	108.4130	0.000	1	108.4130	0.000	1	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.5831	2.085	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	108.1110	1.097	2	108.1110	1.204	2	108.1110	1.204	2	107.5831	2.085	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	107.2110	0.000	1	107.2110	0.000	1	108.1532	1.406	4	107.5831	2.085	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CHHN)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	107.0640	0.000	1	107.0640	0.000	1	108.1532	1.406	4	107.5831	2.085	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CH3)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.1690	0.284	2	109.1690	0.081	2	108.1532	1.406	4	107.5831	2.085	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	104.5300	0.000	1	104.5300	0.000	1	104.5300	0.000	1	107.5831	2.085	9	107.8345	2.516	119	108.3251	3.232	458
542	474	727	5:SP3_SP2_SP3	N[5]	C[5]	C[5,6a]	3:4:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5]-4:S-4:	C[5]-4:N[5]-3:C[3]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]S)(C[3]C[3]2H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	107.5831	2.085	9	107.8345	2.516	119	108.3251	3.232	458
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,5]	C[6,6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|C<3>}	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	124.7720	0.085	2	124.7720	0.007	2	124.6070	0.129	4	124.6070	0.129	4	124.6070	0.129	4	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,5]	C[6,6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	124.4420	0.520	2	124.4420	0.271	2	124.6070	0.129	4	124.6070	0.129	4	124.6070	0.129	4	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	121.8320	0.000	1	121.8320	0.000	1	121.8320	0.000	1	123.2973	1.053	4	123.1434	0.908	5	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	123.3550	0.000	1	123.7857	0.149	3	123.7857	0.149	3	123.2973	1.053	4	123.1434	0.908	5	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	124.0010	0.139	2	123.7857	0.149	3	123.7857	0.149	3	123.2973	1.053	4	123.1434	0.908	5	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	N[5,6,6]-3:C[5,6]-4:O-1:	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	123.1434	0.908	5	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	127.2790	0.618	2	127.2790	0.382	2	127.6028	0.892	5	127.6028	0.892	5	127.6028	0.892	5	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	126.4590	0.000	1	127.8187	1.419	3	127.6028	0.892	5	127.6028	0.892	5	127.6028	0.892	5	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	128.6780	0.000	1	127.8187	1.419	3	127.6028	0.892	5	127.6028	0.892	5	127.6028	0.892	5	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>,2|O<1>,3|H<1>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	128.3190	0.000	1	127.8187	1.419	3	127.6028	0.892	5	127.6028	0.892	5	127.6028	0.892	5	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	N[5,6,6]-3:C[6]-4:C[5]-3:H-1:	N[5,6,6]-3:C[6,6a]-3:O-1:	N[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,5|C<3>}	124.9720	0.000	1	124.9720	0.000	1	124.9720	0.000	1	124.9720	0.000	1	124.9720	0.000	1	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:2:4:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:O[5]-2:C-4:H-1:	C[3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	130.5400	0.000	1	130.5400	0.000	1	130.5400	0.000	1	130.5400	0.000	1	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:3:4:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-3:C-4:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	128.7740	0.000	1	128.7740	0.000	1	128.7740	0.000	1	128.7740	0.000	1	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O){2|C<3>,3|H<1>,4|C<4>}	127.1730	0.000	1	127.1730	0.000	1	127.2990	1.032	3	127.1963	0.730	4	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	128.3720	0.000	1	128.3720	0.000	1	127.2990	1.032	3	127.1963	0.730	4	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	126.3520	0.000	1	126.3520	0.000	1	127.2990	1.032	3	127.1963	0.730	4	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	3:4:1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2	C[6,6](N[5,6,6]C[5,5,3x6]C[5])(C[3x6]C[6,6]2H)(O)	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[6,6](N[5,6,6]C[5,5,3x6]C[5])(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	126.8880	0.000	1	126.8880	0.000	1	126.8880	0.000	1	127.1963	0.730	4	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|C<4>,6|H<1>}	127.5740	0.000	2	128.5267	0.790	7	128.5267	0.790	7	128.3151	0.576	11	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){2|C<3>,4|C<4>,6|H<1>}	128.6915	0.649	4	128.5267	0.790	7	128.5267	0.790	7	128.3151	0.576	11	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){3|C<3>,4|C<4>,5|H<1>}	129.7730	0.000	1	128.5267	0.790	7	128.5267	0.790	7	128.3151	0.576	11	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|C<4>,6|H<1>}	127.8510	0.000	1	127.9447	0.051	4	127.9447	0.051	4	128.3151	0.576	11	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	127.9760	0.265	3	127.9447	0.051	4	127.9447	0.051	4	128.3151	0.576	11	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:4:3:	3:3:2:1:	3:4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	131.6040	0.000	1	131.6040	0.000	1	131.6040	0.000	1	131.6040	0.000	1	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:4:3:	3:3:2:1:	4:3:1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	131.1925	0.268	2	131.2067	0.037	3	131.2067	0.037	3	131.2067	0.037	3	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6,6]	C[5]	C[6,6]	4:4:3:	3:3:2:1:	4:3:1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	131.2350	0.000	1	131.2067	0.037	3	131.2067	0.037	3	131.2067	0.037	3	128.7995	2.458	21	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6]	3:4:3:	3:3:3:4:	3:3:1:	N[5,6]-3:C[5,5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C[5]-3:C[5]-4:	N[5,6]-3:N[6]-3:S-1:	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S)	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[6](N[5,6]C[5,5]N[5,6])(N[6]C[5,6]H)(S)	N[5,6](N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(C[6]N[6]S){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	C[5,5](N[5,6]N[5,6]C[6])(C[5]C[5,6a]O)2(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	C[6](N[5,6]C[5,5]N[5,6])(N[6]C[5,6]H)(S){3|C<4>,4|C<3>}	125.2800	0.000	1	125.2800	0.000	1	125.2800	0.000	1	125.2800	0.000	1	122.5353	3.303	7	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]O){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.8030	0.000	1	123.8030	0.000	1	123.8030	0.000	1	123.8030	0.000	1	122.5353	3.303	7	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6]	4:3:3:	4:3:4:1:	3:3:1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]Se[5]C[6])(C[6]C[6]H)	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	N[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]Se[5]C[6])(C[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	C[5,5](C[5,5]Se[5]C[5]H)(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|Se<2>,1|C<3>,2|C<4>,2|H<1>}	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	122.5353	3.303	7	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,5]-4:C[5]-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,8|H<1>}	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	123.0160	0.000	1	123.0160	0.000	1	123.0160	0.000	1	123.0160	0.000	1	122.5353	3.303	7	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]CH)(O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]CH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	123.1640	0.000	1	123.1640	0.000	1	121.7710	1.927	3	121.7710	1.927	3	122.5353	3.303	7	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]O)(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HO)(O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]O)(C[6]C[6]O){1|N<3>,1|O<1>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HO)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	120.3880	0.000	1	120.3880	0.000	1	121.7710	1.927	3	121.7710	1.927	3	122.5353	3.303	7	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,5]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]S)(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HS)(O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]S)(C[6]C[6]O){1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HS)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	121.7610	0.000	1	121.7610	0.000	1	121.7710	1.927	3	121.7710	1.927	3	122.5353	3.303	7	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:2:	3:3:1:	C[5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:O-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH)	C[6](N[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H)	N[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(C[5,6]C[5,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5,6]C[6])(C[6,6]C[6]2C)(OH){2|N<3>,3|C<3>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>}	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	126.2160	0.000	1	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:C[6]-4:C[5,6]-3:C-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN)	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6]N[5])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	128.2830	0.000	1	128.2830	0.000	1	128.2830	0.000	1	128.2830	0.000	1	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]BrH)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	125.0000	0.000	1	125.0000	0.000	1	125.0000	0.000	1	125.0000	0.000	1	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:3:	3:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:C[6]-3:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]2)(C[6]O[6]O)	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2	C[6](N[5,6]C[5,6,6]C[5,6])(O[6]C[6])(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]2)(C[6]O[6]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6]C[5,6])(O[6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	123.5005	0.657	2	123.5005	0.432	2	123.5005	0.432	2	123.5005	0.432	2	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	124.7430	0.000	1	124.7430	0.000	1	124.7430	0.000	1	124.7430	0.000	1	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	121.4305	0.525	2	121.4305	0.276	2	121.4305	0.276	2	123.4825	2.116	8	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){3|C<3>,3|C<4>,4|H<1>}	124.0777	0.912	4	124.1665	0.662	6	124.1665	0.662	6	123.4825	2.116	8	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){3|C<3>,3|C<4>,4|H<1>}	124.3440	0.847	2	124.1665	0.662	6	124.1665	0.662	6	123.4825	2.116	8	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	124.1635	1.077	2	124.1635	1.160	2	124.1635	1.160	2	124.1635	1.160	2	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	122.2640	0.000	1	122.2640	0.000	1	122.4673	1.391	3	122.7372	3.423	9	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	123.7350	0.000	1	122.5690	2.719	2	122.4673	1.391	3	122.7372	3.423	9	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	121.4030	0.000	1	122.5690	2.719	2	122.4673	1.391	3	122.7372	3.423	9	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	125.6840	0.257	2	125.6840	0.066	2	122.8722	4.855	6	122.7372	3.423	9	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	121.4663	0.404	4	121.4663	0.164	4	122.8722	4.855	6	122.7372	3.423	9	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	124.4350	0.578	2	124.4350	0.335	2	124.4350	0.335	2	124.4350	0.335	2	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5,6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	122.9540	0.000	1	122.9540	0.000	1	122.9540	0.000	1	122.9540	0.000	1	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	121.8743	1.067	3	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	121.4460	1.017	2	121.4460	1.034	2	121.4460	1.034	2	121.8743	1.067	3	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	5:4:3:	3:4:4:1:	3:3:1:	Ga[5,6,6]-5:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H)	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](N[5,6]Ga[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	N[5,6](Ga[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]Ga[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](N[5,6]Ga[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.2500	1.747	2	122.2500	3.050	2	122.2500	3.050	2	122.3202	1.276	6	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	5:4:3:	3:4:4:1:	3:3:1:	In[5,6,6]-5:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H)	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](N[5,6]In[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](N[5,6]In[5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[6](N[5,6]In[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.3552	1.051	4	122.3552	1.105	4	122.3552	1.105	4	122.3202	1.276	6	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	6:4:3:	3:4:4:1:	3:3:1:	In[5,5,6,6]-6:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	N[5,6](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H)	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	N[5,6](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]H){3|C<4>,3|H<1>,6|C<3>}	C[5,6](N[5,6]In[5,5,6,6]C[6])(C[5,6]N[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,5|H<1>}	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|O<2>}	121.0775	2.366	4	121.0775	5.599	4	121.0775	5.599	4	121.0775	5.599	4	123.0382	3.474	40	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[3x6]	3:3:4:	3:4:4:4:	4:3:3:	C[3x6]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-4:C-4:	C[4x6]-4:N[5,6]-3:C[6,6]-3:	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[5](N[5,6]C[3x6]C[5,6])(C[5]C[5]HH)(CH3)2	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C)	N[5,6](C[3x6]C[4x6]C[6,6])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,6|C<4>}	C[5](N[5,6]C[3x6]C[5,6])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C){2|C<3>,2|H<1>,5|C<4>}	127.8900	0.788	2	127.8900	0.620	2	127.8900	0.620	2	127.8900	0.620	2	127.8900	0.620	2	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6]-3:C[6,6]-3:C[6]-4:	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]O)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	127.9970	0.000	2	127.9970	0.000	2	127.9970	0.000	2	127.9970	0.000	2	125.7680	5.255	8	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[6,6]-3:	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[6,6]C[6]2)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]N[5]HH)(H)2{1|H<1>,3|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	127.7450	0.000	2	127.7450	0.000	2	127.7450	0.000	2	127.7450	0.000	2	125.7680	5.255	8	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6]-3:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6]-3:C[6]-4:	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	N[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]S[5])(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]S[5]HH)(H)2{1|C<4>,2|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|S<2>,2|C<3>,3|H<1>,4|C<4>}	123.6507	0.817	3	123.6507	0.667	3	123.6507	0.667	3	123.6507	0.667	3	125.7680	5.255	8	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6,6]	4:3:4:	3:4:1:1:	3:4:3:	C[5,6,6]-4:C[6,6]-3:C[5]-4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:C[6,6]-4:C[6]-3:	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H)	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH){6|C<4>,6|H<1>}	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H){1|O<2>,4|H<1>,8|C<4>}	123.7080	0.000	1	123.7080	0.000	1	123.7080	0.000	1	123.7080	0.000	1	125.7680	5.255	8	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	123.2735	0.066	2	123.2735	0.004	2	123.2735	0.004	2	124.8487	6.560	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)	N[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	128.6320	0.000	1	128.6320	0.000	1	128.6320	0.000	1	124.8487	6.560	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:S-1:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]S)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(S)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]S)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	124.2160	0.000	1	124.2160	0.000	1	124.2160	0.000	1	124.8487	6.560	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:N[6]-2:	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6,6a])	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	128.6310	0.000	1	128.6310	0.000	1	128.6310	0.000	1	128.6310	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]N[5])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]Ir)(N[5]C[5]2)	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]N[5])(C[5]C[5]HH){1|Ir<8>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(H)2{1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]Ir)(N[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	129.5540	0.000	1	129.5540	0.000	1	129.5540	0.000	1	129.5540	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	127.4580	0.000	1	127.4580	0.000	1	127.4580	0.000	1	127.4580	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.4610	0.000	1	126.4610	0.000	1	126.4610	0.000	1	126.5920	0.034	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:N[5]-3:C-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]N[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]N[5]CH)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(N[5]N[5]C)(CCHH)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	126.7230	0.000	1	126.7230	0.000	1	126.7230	0.000	1	126.5920	0.034	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:3:4:3:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[3]-4:C-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH){4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.9050	0.000	1	126.9050	0.000	1	126.9050	0.000	1	126.9050	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C-4:C-4:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	126.2900	0.000	1	126.2900	0.000	1	126.2900	0.000	1	126.2900	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:S[6]-2:S-1:	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S)	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S){1|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<2>,1|S<1>,1|S<2>}	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S){1|C<4>,1|S<1>,2|H<1>,2|N<2>}	123.6360	0.000	1	123.7967	0.019	3	123.7967	0.019	3	123.7967	0.019	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:S[6]-2:S-1:	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S)	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]S[6]S){1|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|S<1>,1|S<2>}	C[6](N[5,6]C[5,6]C[5])(S[6]C[6])(S){1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	123.8770	0.000	2	123.7967	0.019	3	123.7967	0.019	3	123.7967	0.019	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(H)2{1|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.6730	0.000	1	124.6730	0.000	1	124.6980	0.001	2	124.4068	0.836	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.7230	0.000	1	124.7230	0.000	1	124.6980	0.001	2	124.4068	0.836	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(O)	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]O){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(O){1|C<4>,1|S<1>,2|C<3>,2|H<1>,2|N<3>}	122.7840	0.000	1	122.7840	0.000	1	122.7840	0.000	1	124.4068	0.836	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:N[6]-3:S-1:	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]N[6]S)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(S)	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]N[6]S){2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	124.9270	0.000	2	124.9270	0.000	2	124.9270	0.000	2	124.4068	0.836	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){1|C<4>,2|H<1>,5|C<3>}	127.3115	0.158	2	127.3283	0.013	3	127.3283	0.013	3	126.1204	1.346	7	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]C){2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{4|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){2|C<4>,2|H<1>,4|C<3>}	127.3620	0.000	1	127.3283	0.013	3	127.3283	0.013	3	126.1204	1.346	7	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N-3:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]N)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.2145	0.362	4	125.2145	0.131	4	125.2145	0.131	4	126.1204	1.346	7	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	123.3000	0.000	1	123.3000	0.000	1	124.8765	4.971	2	124.8765	4.971	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	126.4530	0.000	1	126.4530	0.000	1	124.8765	4.971	2	124.8765	4.971	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	122.0654	6.002	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.2380	0.000	1	123.2965	0.007	2	122.0958	8.352	4	122.0654	6.002	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.3550	0.000	1	123.2965	0.007	2	122.0958	8.352	4	122.0654	6.002	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.0000	0.000	1	124.0000	0.000	1	122.0958	8.352	4	122.0654	6.002	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O)	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	117.7900	0.000	1	117.7900	0.000	1	122.0958	8.352	4	122.0654	6.002	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:S-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]S)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(S)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	124.6730	0.000	1	124.6730	0.000	1	124.6730	0.000	1	122.0654	6.002	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:Si[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(H)2{1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|Si<4>,1|C<4>,1|O<2>,4|H<1>}	120.0250	0.000	2	120.0250	0.000	2	120.0250	0.000	2	122.0654	6.002	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CN[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]CH)(C[6]C[6]H){3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CN[6]O)(H){1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	122.2710	0.000	1	122.2710	0.000	1	122.2710	0.000	1	125.5720	21.793	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:3:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]N[5]H)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]N[5]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]2H)(N[5]N[5]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	128.8730	0.000	1	128.8730	0.000	1	128.8730	0.000	1	125.5720	21.793	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CBrHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	125.8980	0.000	1	125.8980	0.000	1	125.8980	0.000	1	125.8980	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O)	N[5,6](C[5,6]C[6]S[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6]S)(O){1|S<2>,2|C<4>,2|H<1>,4|C<3>}	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	120.5340	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:5:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	N[5,6]-3:C[6]-3:Cl-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|Cl<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	124.6510	0.000	1	124.6510	0.000	1	124.8310	0.055	3	124.8310	0.055	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:5:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	N[5,6]-3:C[6]-3:Cl-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)(H)2{1|Cl<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	124.9210	0.246	2	124.9210	0.061	2	124.8310	0.055	3	124.8310	0.055	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:5:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCF)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	123.3130	0.000	1	123.3130	0.000	1	123.2070	0.022	2	123.2070	0.022	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:5:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|C<4>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	123.1010	0.000	1	123.1010	0.000	1	123.2070	0.022	2	123.2070	0.022	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:5:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){1|O<2>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)(H)2{1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|Si<5>,1|C<4>,1|O<2>,4|H<1>}	120.8445	0.664	2	120.8445	0.441	2	120.8333	0.221	3	120.8333	0.221	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	3:5:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	N[5,6]-3:Si[5]-5:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]O){1|C<4>,3|F<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]F3)(H)2{1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|Si<5>,1|C<4>,1|O<2>,4|H<1>}	120.8110	0.000	1	120.8110	0.000	1	120.8333	0.221	3	120.8333	0.221	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	4:3:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	5:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:Cl-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]Cl)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	124.7830	0.067	3	124.7830	0.004	3	124.7830	0.004	3	123.2837	1.037	12	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	5:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	122.2660	0.276	4	122.2660	0.076	4	122.7840	0.300	9	123.2837	1.037	12	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	5:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	123.3673	0.096	3	123.3673	0.009	3	122.7840	0.300	9	123.2837	1.037	12	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	3:4:3:	5:3:1:1:	3:3:1:	C[5,6]-3:C[5]-4:C[6]-3:	Si[5,5]-5:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H)	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H)	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5,5]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5](Si[5,5]C[5]O[5]2C)(N[5,6]C[5,6]C[6])(H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	122.9450	0.098	2	122.9450	0.010	2	122.7840	0.300	9	123.2837	1.037	12	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5]C[6a]N[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.9030	0.000	1	124.9030	0.000	1	124.9030	0.000	1	124.9030	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-3:O-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5]C[6a]C[5]O)(C[5,6]N[5]N[6])(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5]C[6a]C[5]O)(C[5,6]N[5]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(OC){1|N<2>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	127.4350	0.000	1	127.4350	0.000	1	127.4350	0.000	1	127.4350	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|Au<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){2|C<4>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	127.1210	0.000	1	127.4520	0.219	2	127.4520	0.219	2	127.4520	0.219	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|Au<2>,1|N<2>,2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]Au){1|C<4>,3|H<1>,7|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	127.7830	0.000	1	127.4520	0.219	2	127.4520	0.219	2	127.4520	0.219	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-3:C-4:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H){3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	127.9020	0.000	1	127.9020	0.000	1	127.9020	0.000	1	127.9020	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	124.1280	0.000	1	124.1280	0.000	1	124.1280	0.000	1	124.1280	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[5,6]-3:C[6]-3:	N[5,6]-3:Si[5]-4:N[6a]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5]N[6a]Si[5]H)(C[5,6]C[6]O[5])(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5]N[6a]Si[5]H)(C[5,6]C[6]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	122.4280	0.000	1	122.4280	0.000	1	122.4280	0.000	1	122.4280	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	122.3785	1.030	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	123.0960	0.000	1	123.0960	0.000	1	123.0960	0.000	1	122.3785	1.030	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:2:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:S[5]-2:C-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CC3)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CC3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	122.3960	0.000	1	122.3960	0.000	1	122.3960	0.000	1	122.3960	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:2:4:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:S[5]-2:C-4:C-4:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC){2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	123.1130	0.000	1	123.1130	0.000	1	122.2245	1.579	2	122.2245	1.579	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:2:4:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:S[5]-2:C-4:C-4:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC){2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	121.3360	0.000	1	121.3360	0.000	1	122.2245	1.579	2	122.2245	1.579	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:3:1:1:	3:3:3:	B[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](B[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6]B[5,6]C[6])(C[5]O[5]O)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2)	N[5,6](B[5,6]C[6a]O[5]O[6])(C[6]C[6,6a]C[6a])(C[5]C[5]HH){1|O<1>,6|C<3>}	C[5](N[5,6]B[5,6]C[6])(C[5]O[5]O)(H)2{1|O<2>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,7|C<3>}	127.6560	0.976	2	127.6560	0.952	2	127.6560	0.952	2	127.6560	0.952	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CH)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CH){1|H<1>,2|O<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	122.1530	0.000	1	122.1530	0.000	1	122.1530	0.000	1	122.1530	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,4|H<1>}	125.7965	0.769	2	125.7965	0.591	2	123.6652	3.168	6	123.6652	3.168	6	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	123.0120	0.290	2	123.0120	0.084	2	123.6652	3.168	6	123.6652	3.168	6	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	122.1870	0.926	2	122.1870	0.858	2	123.6652	3.168	6	123.6652	3.168	6	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-3:C-4:C-4:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){2|O<2>,3|C<3>,4|C<4>}	126.5010	0.000	1	126.5010	0.000	1	126.5010	0.000	1	126.5010	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	123.6536	1.806	9	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	122.6340	0.000	1	122.6340	0.000	1	122.6340	0.000	1	123.6536	1.806	9	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]C[5])(O){1|O<2>,4|H<1>,5|C<4>}	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	123.6536	1.806	9	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,3|H<1>}	122.0560	0.000	1	122.0560	0.000	1	124.3132	2.286	4	123.6536	1.806	9	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	125.2470	0.000	1	125.2470	0.000	1	124.3132	2.286	4	123.6536	1.806	9	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	124.9750	0.119	2	124.9750	0.014	2	124.3132	2.286	4	123.6536	1.806	9	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:N[6,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|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>}	124.3620	0.000	1	124.2070	0.048	2	124.2070	0.048	2	123.6536	1.806	9	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:N[6,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	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>}	124.0520	0.000	1	124.2070	0.048	2	124.2070	0.048	2	123.6536	1.806	9	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[4,5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	127.4257	0.896	3	127.4257	0.802	3	127.4257	0.802	3	126.8394	1.848	10	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	126.9500	0.262	2	126.9500	0.068	2	126.9500	0.068	2	126.8394	1.848	10	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	127.1570	0.000	1	127.1570	0.000	1	126.4434	3.280	5	126.8394	1.848	10	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	127.2323	0.792	3	127.2323	0.628	3	126.4434	3.280	5	126.8394	1.848	10	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	123.3630	0.000	1	123.3630	0.000	1	126.4434	3.280	5	126.8394	1.848	10	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	123.0452	1.477	4	123.0452	2.181	4	123.0591	1.702	8	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	123.8990	0.727	2	123.8990	0.528	2	123.0591	1.702	8	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|S<2>,4|C<4>,4|H<1>}	122.2470	1.452	2	122.2470	2.109	2	123.0591	1.702	8	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<2>,1|O<2>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O){5|C<4>,6|H<1>}	121.9360	0.000	1	121.0655	1.516	2	122.4186	2.685	7	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	120.1950	0.000	1	121.0655	1.516	2	122.4186	2.685	7	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6]C[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O){5|C<4>,6|H<1>}	121.5170	0.000	1	121.5170	0.000	1	122.4186	2.685	7	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,3|C<4>,5|H<1>}	124.2560	0.000	1	124.2560	0.000	1	122.4186	2.685	7	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.3450	0.000	1	123.6365	3.336	2	122.4186	2.685	7	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	124.9280	0.000	1	123.6365	3.336	2	122.4186	2.685	7	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,3|C<4>,6|H<1>}	121.7530	0.000	1	121.7530	0.000	1	122.4186	2.685	7	122.7602	2.111	15	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:1:1:	4:3:2:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:N-2:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a]){2|C<3>,4|C<4>,5|H<1>}	127.0400	0.000	1	127.0400	0.000	1	127.0400	0.000	1	127.0400	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,4|C<4>,4|H<1>}	122.8630	1.298	2	122.8630	1.685	2	122.8630	1.685	2	122.8630	1.685	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:2:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:S[5]-2:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	120.4693	0.463	4	120.4693	0.214	4	120.4693	0.214	4	120.4693	0.214	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:2:4:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:O[5]-2:C-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HS)(O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HS)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	124.4230	0.000	1	124.4230	0.000	1	124.4230	0.000	1	124.4230	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]N[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	120.0170	0.000	2	120.0170	0.000	2	120.0170	0.000	2	120.0170	0.000	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	124.0650	0.000	2	124.0650	0.000	2	121.5452	8.556	4	121.8686	6.940	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,2|O<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	119.0255	0.521	2	119.0255	0.272	2	121.5452	8.556	4	121.8686	6.940	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.1620	0.000	1	123.1620	0.000	1	123.1620	0.000	1	121.8686	6.940	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:2:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:O-2:H-1:	N[5,6]-3:N[6]-3:S-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(S)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S){3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(S){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.4585	0.540	2	123.4585	0.291	2	123.4585	0.291	2	123.4585	0.291	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.2540	0.000	1	125.2540	0.000	1	125.2540	0.000	1	125.2540	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:2:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	125.9810	0.000	1	125.9810	0.000	1	125.9810	0.000	1	125.6665	0.198	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:2:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	125.3520	0.000	1	125.3520	0.000	1	125.3520	0.000	1	125.6665	0.198	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O){1|O<2>,3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	124.8570	0.000	1	124.8570	0.000	1	124.8570	0.000	1	124.8570	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6a]C[6]H)(O)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6a]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	126.4850	0.000	1	126.4850	0.000	1	124.6683	8.027	4	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[5]H)(O)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[5]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	121.6850	0.000	1	121.6850	0.000	1	124.6683	8.027	4	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[6]H)(O)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[6]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	127.6180	0.000	1	127.6180	0.000	1	124.6683	8.027	4	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6a]C[6]H)(O)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6a]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	122.8850	0.000	1	122.8850	0.000	1	124.6683	8.027	4	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.7280	0.000	1	120.5295	0.079	2	120.5295	0.079	2	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.3310	0.000	1	120.5295	0.079	2	120.5295	0.079	2	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CN)(O)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H){1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CN)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.9100	0.000	1	121.9100	0.000	1	121.9100	0.000	1	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.9210	1.481	2	121.9210	2.192	2	121.7108	6.484	10	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.0095	2.747	2	121.0422	7.676	4	121.7108	6.484	10	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.0750	0.000	2	121.0422	7.676	4	121.7108	6.484	10	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	124.8750	0.000	2	124.8750	0.000	2	121.7108	6.484	10	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|N<2>,5|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){2|H<1>,3|C<3>,3|C<4>}	120.8840	0.000	1	120.8840	0.000	1	121.7108	6.484	10	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.4630	0.000	1	118.4630	0.000	1	121.7108	6.484	10	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:S-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(S)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	122.3741	6.916	18	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O){2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){4|C<4>,4|H<1>}	120.7075	0.473	2	120.7768	0.445	5	120.7768	0.445	5	120.7768	0.445	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.6165	1.133	2	120.7768	0.445	5	120.7768	0.445	5	120.7768	0.445	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.2360	0.000	1	120.7768	0.445	5	120.7768	0.445	5	120.7768	0.445	5	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]H)(O)	N[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,4|H<1>}	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	123.2700	0.000	2	123.2700	0.000	2	123.2700	0.000	2	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	126.1210	0.000	1	126.1210	0.000	1	126.1210	0.000	1	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	121.3220	0.000	1	121.3220	0.000	1	122.1893	0.813	6	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	122.9495	0.268	2	122.9495	0.072	2	122.1893	0.813	6	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.5300	0.000	1	122.5300	0.000	1	122.1893	0.813	6	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O)	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	121.6925	1.216	2	121.6925	1.477	2	122.1893	0.813	6	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O){1|O<1>,3|C<4>,3|H<1>}	121.4770	0.000	1	121.4770	0.000	1	120.7315	1.112	2	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]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]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	119.9860	0.000	1	119.9860	0.000	1	120.7315	1.112	2	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:S[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O)	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,2|H<1>,3|O<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O){1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	120.8040	0.000	1	120.9780	0.061	2	120.9780	0.061	2	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:S[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O)	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,3|H<1>,3|O<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	121.1520	0.000	1	120.9780	0.061	2	120.9780	0.061	2	122.1782	2.388	14	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:2:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N-2:	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]N)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH)	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]N){1|C<4>,1|N<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH){1|N<3>,2|H<1>,5|C<4>}	124.9750	0.000	1	124.9750	0.000	1	124.9750	0.000	1	124.9750	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|H<1>,6|C<4>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(O){1|O<2>,3|C<4>,4|H<1>}	123.2040	0.000	1	123.2040	0.000	1	122.7117	0.254	8	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	122.4258	0.380	5	122.4258	0.144	5	122.7117	0.254	8	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HO)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HO)(O){1|O<2>,3|C<4>,4|H<1>}	123.1805	0.334	2	123.1805	0.112	2	122.7117	0.254	8	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:S-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S)	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(S)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S){1|C<3>,4|H<1>,5|C<4>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<2>,1|S<1>,3|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(S){1|O<2>,3|C<4>,4|H<1>}	124.0560	0.283	3	124.0560	0.080	3	124.0560	0.080	3	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	119.2850	0.000	1	119.9515	0.888	2	119.9515	0.888	2	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){4|C<4>,8|H<1>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	120.6180	0.000	1	119.9515	0.888	2	119.9515	0.888	2	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	120.4600	0.000	1	120.4600	0.000	1	120.4600	0.000	1	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(O){1|O<1>,3|C<4>,3|H<1>}	123.1780	0.000	2	123.1780	0.000	2	123.1780	0.000	2	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	121.1070	0.000	1	121.1070	0.000	1	122.1270	4.056	3	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	124.4470	0.000	1	124.4470	0.000	1	122.1270	4.056	3	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	120.8270	0.000	1	120.8270	0.000	1	122.1270	4.056	3	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){4|C<4>,4|H<1>}	121.5340	0.000	1	121.5340	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	121.9180	0.122	2	121.9180	0.015	2	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	121.6170	0.000	1	121.6170	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	122.0420	0.000	1	122.0420	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CS)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CS)(O){1|C<3>,2|H<1>,4|C<4>}	122.0390	0.000	1	122.0390	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	119.8310	0.000	1	119.8310	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	121.4470	0.000	1	121.2317	0.054	3	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	121.2630	0.000	1	121.2317	0.054	3	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	120.9850	0.000	1	121.2317	0.054	3	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	123.0458	1.989	5	122.9070	2.533	8	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	122.6757	0.908	3	122.9070	2.533	8	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CO)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CO)(O){1|C<3>,2|C<4>,4|H<1>}	124.3060	0.000	1	124.3060	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<1>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	125.0020	0.000	1	125.0020	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O){1|C<3>,2|C<4>,3|H<1>}	123.9130	0.000	1	123.9130	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O){3|C<4>,3|H<1>}	123.1790	0.000	1	123.1790	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	122.7740	0.000	1	122.7740	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(O)	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	121.1700	0.000	1	121.1700	0.000	1	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|S<2>,3|H<1>}	119.0370	0.253	2	119.0370	0.064	2	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	121.1435	0.660	2	121.1435	0.435	2	122.0912	2.639	28	122.2450	2.390	47	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5,5]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O)	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	121.1347	1.289	4	121.1347	1.661	4	121.1347	1.661	4	121.1347	1.661	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:2:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:S[5]-2:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O){1|N<2>,1|N<3>,1|S<2>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|S<2>,4|C<4>,4|H<1>}	123.1335	4.221	2	123.1335	17.814	2	123.1335	17.814	2	123.1335	17.814	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	124.3540	0.000	1	124.3540	0.000	1	123.0107	2.837	3	123.0107	2.837	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	121.1210	0.000	1	121.1210	0.000	1	123.0107	2.837	3	123.0107	2.837	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	123.5570	0.000	1	123.5570	0.000	1	123.0107	2.837	3	123.0107	2.837	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(O)	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	123.0350	0.000	1	123.0350	0.000	1	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,3|C<4>,4|H<1>}	119.8070	0.000	1	119.8070	0.000	1	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,3|C<4>,4|H<1>}	120.2260	0.006	2	120.1757	0.008	3	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,3|C<4>,4|H<1>}	120.0750	0.000	1	120.1757	0.008	3	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N[5]H)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N[5]H)(O){3|C<3>,3|C<4>,4|H<1>}	122.7550	1.728	5	122.7550	2.987	5	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<2>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7360	0.000	1	121.3120	0.664	2	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.8880	0.000	1	121.3120	0.664	2	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,2|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,2|C<4>,3|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	121.4010	0.000	1	120.5040	2.316	3	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	118.7470	0.000	1	120.5040	2.316	3	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	121.3640	0.000	1	120.5040	2.316	3	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	123.0260	0.000	1	123.0260	0.000	1	121.5191	2.732	16	121.5191	2.732	16	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	122.1010	0.000	1	122.1010	0.000	1	122.6424	1.477	7	122.4966	1.436	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<1>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	122.8830	0.000	1	121.8310	2.213	2	122.6424	1.477	7	122.4966	1.436	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	120.7790	0.000	1	121.8310	2.213	2	122.6424	1.477	7	122.4966	1.436	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	122.1710	0.000	1	122.1710	0.000	1	122.6424	1.477	7	122.4966	1.436	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|S<2>,2|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	123.3510	0.000	1	123.3510	0.000	1	122.6424	1.477	7	122.4966	1.436	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	123.6060	1.568	2	123.6060	2.460	2	122.6424	1.477	7	122.4966	1.436	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O){2|C<4>,2|O<2>,8|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	121.4760	0.000	1	121.4760	0.000	1	121.4760	0.000	1	122.4966	1.436	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3)	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	128.1990	0.000	1	128.1990	0.000	1	128.1990	0.000	1	128.1990	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,4|C<4>,5|H<1>}	127.2820	0.000	1	127.2820	0.000	1	127.2820	0.000	1	124.6770	13.572	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[3x5,6]N[6]C)(C[5]C[5,5,6]HH)(C[6]N[6]O)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[5,6](C[5,6]C[3x5,6]N[6]C)(C[5]C[5,5,6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.0720	0.000	1	122.0720	0.000	1	122.0720	0.000	1	124.6770	13.572	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	122.3390	0.000	1	123.0170	0.345	3	123.0170	0.345	3	123.0170	0.345	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	123.3360	0.000	1	123.0170	0.345	3	123.0170	0.345	3	123.0170	0.345	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	123.3760	0.000	1	123.0170	0.345	3	123.0170	0.345	3	123.0170	0.345	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	4:3:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2	C[6](C[6,6]C[6,6a]N[6,6]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]C[6a])(N[5,6]C[5,6]C[5])(O){3|C<4>,3|H<1>,5|C<3>}	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	4:3:3:1:	4:3:1:	C[5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,4|C<4>,4|H<1>}	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	5:3:4:	3:4:1:1:	3:3:1:	Ga[5,6,6]-5:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2O)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H)	N[5,6](Ga[5,6,6]N[5,6]O[6]2O)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<2>}	120.7715	2.426	2	120.7715	5.886	2	120.7242	4.021	4	121.2285	3.276	6	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	5:3:4:	3:4:1:1:	3:3:1:	Ga[5,6,6]-5:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](Ga[5,6,6]N[5,6]O[6]2P)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H)	N[5,6](Ga[5,6,6]N[5,6]O[6]2P)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|H<1>,1|P<2>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H){1|C<4>,1|N<3>,1|P<2>,2|C<3>,2|O<2>,3|H<1>}	120.6770	2.483	2	120.6770	6.167	2	120.7242	4.021	4	121.2285	3.276	6	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	5:3:4:	3:4:1:1:	3:3:1:	In[5,6,6]-5:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:H-1:	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6,6]C[5])(H)	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[6]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.2370	1.126	2	122.2370	1.267	2	122.2370	1.267	2	121.2285	3.276	6	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	5:4:3:	3:3:4:1:	3:3:4:	Si[5,6]-5:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C)	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H)	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	120.5397	1.125	3	120.5397	1.266	3	120.5397	1.266	3	120.5397	1.266	3	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	5:4:3:	3:4:1:1:	3:3:4:	Ga[5,6,6]-5:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	120.9125	0.359	2	120.9125	0.129	2	120.9125	0.129	2	121.5327	1.325	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	5:4:3:	3:4:1:1:	3:3:4:	In[5,6,6]-5:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|O<2>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	122.1530	1.519	2	122.1530	2.307	2	122.1530	2.307	2	121.5327	1.325	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	5:4:3:	3:4:1:1:	3:4:4:	In[5,6,6]-5:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3)	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,2|O<2>,4|C<4>}	121.1680	1.362	2	121.1680	1.855	2	122.0885	1.835	4	122.0885	1.835	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	5:4:3:	3:4:1:1:	3:4:4:	In[5,6,6]-5:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3)	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,2|O<2>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	123.0090	0.512	2	123.0090	0.262	2	122.0885	1.835	4	122.0885	1.835	4	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	6:3:4:	3:4:1:1:	3:3:1:	In[3x5,6,6]-6:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	N[5,6](In[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	C[6](N[5,6]In[3x5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	N[5,6](In[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[6]C[6,6a]H)(C[5]C[5]HH){4|C<3>,4|C<4>,4|H<1>}	C[5](N[5,6]In[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>,2|O<2>}	C[6](N[5,6]In[3x5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	120.9880	0.890	2	120.9880	0.791	2	120.9880	0.791	2	120.9880	0.791	2	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	6:3:4:	3:4:1:1:	3:3:3:	Si[5,6,6]-6:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|O<2>,4|C<3>,5|H<1>}	121.7625	1.303	2	121.7625	1.698	2	121.0988	2.791	6	121.0988	2.791	6	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	6:3:4:	3:4:1:1:	3:3:3:	Si[5,6,6]-6:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|C<3>,5|H<1>}	120.7670	1.909	4	120.7670	3.645	4	121.0988	2.791	6	121.0988	2.791	6	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	6:4:3:	3:4:1:1:	3:3:4:	Ga[3x5,6,6]-6:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](Ga[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](Ga[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,4|C<4>,5|H<1>}	C[5](N[5,6]Ga[3x5,6,6]C[6])(C[5]N[5,5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|C<4>,2|O<2>}	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	119.1240	0.000	1	119.1240	0.000	1	119.1240	0.000	1	121.6131	3.087	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	6:4:3:	3:4:1:1:	3:3:4:	Ga[5,6,6]-6:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](Ga[5,6,6]N[5,6]O[6]2ClLi)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](Ga[5,6,6]N[5,6]O[6]2ClLi)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	C[5](N[5,6]Ga[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|Li<6>,1|C<4>,2|C<3>,2|O<3>}	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|Li<6>,1|N<3>,2|C<4>,2|H<1>,2|O<3>}	121.7530	1.741	2	121.7530	3.031	2	121.7530	3.031	2	121.6131	3.087	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	6:4:3:	3:4:1:1:	3:3:4:	In[5,6,6]-6:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](In[5,6,6]N[5,6]O[5]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](In[5,6,6]N[5,6]O[5]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,1|O<3>,2|C<3>,2|O<2>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|O<3>,2|C<4>,2|H<1>,2|O<2>}	122.3340	1.860	2	122.3340	3.458	2	122.3955	3.017	4	121.6131	3.087	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	6:4:3:	3:4:1:1:	3:3:4:	In[5,6,6]-6:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](In[5,6,6]N[5,6]O[6]2ClO)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](In[5,6,6]N[5,6]O[6]2ClO)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	C[5](N[5,6]In[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|O<2>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|O<2>}	122.4570	2.362	2	122.4570	5.578	2	122.3955	3.017	4	121.6131	3.087	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5,6]	C[5]	C[6]	6:4:3:	3:4:1:1:	3:3:4:	Si[5,6,6]-6:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C)	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3)	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	C[5](N[5,6]Si[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>,2|N<2>,2|O<2>}	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	121.6131	3.087	8	122.9520	5.401	299	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6,6]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2)	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]HH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	120.6720	0.000	1	120.6720	0.000	1	120.6720	0.000	1	120.6720	0.000	1	122.7068	1.987	6	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6,6]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	123.9940	0.000	1	122.8017	1.129	3	123.1138	1.241	5	123.1138	1.241	5	122.7068	1.987	6	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6,6]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	122.2055	0.354	2	122.8017	1.129	3	123.1138	1.241	5	123.1138	1.241	5	122.7068	1.987	6	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6,6]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2)	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]2H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	124.5760	0.000	1	124.5760	0.000	1	123.1138	1.241	5	123.1138	1.241	5	122.7068	1.987	6	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6,6]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:N[5]-3:	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2)	N[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(N[5]C[5]2){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	122.5880	0.000	1	122.5880	0.000	1	123.1138	1.241	5	123.1138	1.241	5	122.7068	1.987	6	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	3:3:1:1:	3:3:3:	C[6]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:N[5]-3:	N[5](C[6]C[6]N[6])(C[5]N[5]HH)(C[5]C[5]Ir)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[6]C[6]N[6])(C[5]N[5]HH)(C[5]C[5]Ir){3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6]-3:C[6]-2:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]2)	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6])	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]2){3|H<1>,4|C<3>}	C[5](N[5]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<2>,2|C<3>}	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	118.9110	0.000	1	118.9110	0.000	1	118.9110	0.000	1	121.3522	5.614	4	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Ir<8>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	121.1470	0.000	1	121.1470	0.000	1	120.9535	0.075	2	121.3522	5.614	4	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[6]-3:N[6]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(N[6]C[6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]N[6]2){1|Rh<8>,2|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.7600	0.000	1	120.7600	0.000	1	120.9535	0.075	2	121.3522	5.614	4	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:2:	C[6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:N[5]-3:O[6]-2:	N[5](C[6]C[6]O[6])(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6])	N[5](C[6]C[6]O[6])(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	124.5910	0.000	1	124.5910	0.000	1	124.5910	0.000	1	121.3522	5.614	4	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[6]-3:C[6]-3:N[5]-3:	N[5](C[6]C[6]N[6])(C[5]C[5]HH)(C[5]C[5]Ir)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[6]C[6]N[6])(C[5]C[5]HH)(C[5]C[5]Ir){2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Ir<6>,1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,2|C<4>,4|H<1>}	124.0000	0.000	1	124.0000	0.000	1	123.3003	0.388	3	123.3003	0.388	3	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[6]-3:C[6]-3:N[5]-3:	N[5](C[6]C[6]N[6])(C[5]C[5]HH)(C[5]N[5]Mg)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	C[6](N[6]C[6]Mg)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[6]C[6]N[6])(C[5]C[5]HH)(C[5]N[5]Mg){3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Mg<6>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	122.9505	0.204	2	122.9505	0.042	2	123.3003	0.388	3	123.3003	0.388	3	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	3:4:4:1:	3:3:2:	C[6]-3:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6]-3:N[5]-3:O[6]-2:	N[5](C[6]C[6]O[6])(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6])	N[5](C[6]C[6]O[6])(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]C[6a])(N[5]C[5]2)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:3:	4:3:4:1:	3:3:3:	C[6]-3:C[5]-4:B[5]-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(B[5]O[5]Ir)	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H)	C[6](N[5]B[5]C[5])(N[6]C[6]Ir)(C[6]C[6]H)	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(B[5]O[5]Ir){1|H<1>,4|C<3>}	C[5](C[5]C[6a]2O[5])(N[5]B[5]C[6])(CCCH)(H){1|Ir<8>,1|N<3>,5|C<3>}	C[6](N[5]B[5]C[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	127.8470	0.000	1	127.8470	0.000	1	127.8470	0.000	1	127.8470	0.000	1	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:N[5]-3:N[6]-3:	N[5](C[6]C[6]N[6])(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	N[5](C[6]C[6]N[6])(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	123.0072	2.350	4	123.0072	5.522	4	123.0072	5.522	4	123.0072	5.522	4	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	3:4:4:	3:4:1:1:	4:3:3:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	N[5](C[6]C[5,6]C[6])(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[6]C[5,6]C[6])(C[5]C[5]HH)2{1|Fe<10>,1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,4|C<4>,6|H<1>}	124.4855	2.306	2	124.4855	5.317	2	124.4855	5.317	2	124.4855	5.317	2	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(C[6]C[6]2){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	122.1930	0.000	1	122.1930	0.000	1	122.1930	0.000	1	122.1930	0.000	1	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:3:3:	3:3:4:1:	4:3:3:	C[5]-4:C[5]-3:C[6]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[6]-4:C[6]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(C[6]C[6]2){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:3:3:	3:4:4:1:	3:3:3:	C[5]-4:C[5]-3:C[6]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]CH)(C[5]N[5]Rh)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]N[5]Rh)(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]CH)(CCHH)(H){1|Rh<6>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|Rh<6>,1|C<2>,1|N<3>,2|C<4>,3|H<1>}	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6]-3:C[5]-4:	N[5]-3:C[5]-3:C-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(CN[6]O)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]H)(CN[6]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	122.9600	0.000	1	122.9600	0.000	1	122.9600	0.000	1	122.5705	0.303	2	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:3:4:	3:3:3:1:	3:3:3:	C[5]-4:C[6]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	122.1810	0.000	1	122.1810	0.000	1	122.1810	0.000	1	122.5705	0.303	2	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:2:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[6]-3:N[6]-2:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]N[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]N[6]2){3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	123.5255	4.588	2	123.5255	21.054	2	123.5255	21.054	2	123.5255	21.054	2	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	120.8390	0.000	1	120.8390	0.000	1	124.1233	1.956	25	124.1233	1.956	25	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	125.1960	1.698	2	125.1960	2.885	2	124.1233	1.956	25	124.1233	1.956	25	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	124.5305	1.723	2	124.5305	2.969	2	124.1233	1.956	25	124.1233	1.956	25	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){3|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	125.2005	1.955	2	125.2005	3.823	2	124.1233	1.956	25	124.1233	1.956	25	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	124.9495	0.869	2	124.9495	0.755	2	124.1233	1.956	25	124.1233	1.956	25	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]H)2(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){2|C<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	123.2240	0.764	4	123.9057	1.243	16	124.1233	1.956	25	124.1233	1.956	25	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]H)2(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){2|C<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	124.4634	1.234	8	123.9057	1.243	16	124.1233	1.956	25	124.1233	1.956	25	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]H)2(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){2|C<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	123.4720	0.617	4	123.9057	1.243	16	124.1233	1.956	25	124.1233	1.956	25	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|C<3>,1|C<4>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,3|C<4>,6|H<1>}	124.3145	1.047	2	124.3145	1.097	2	124.3145	1.097	2	124.3145	1.097	2	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:1:1:	4:4:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2)	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|B<4>,2|C<4>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[5]C[5]2){3|C<4>,8|H<1>}	125.2630	0.140	2	125.2630	0.020	2	125.2630	0.020	2	125.2630	0.020	2	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP2_SP2_SP3	N[5]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:3:3:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:C-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	126.9390	0.000	1	126.9390	0.000	1	126.9390	0.000	1	126.9390	0.000	1	123.7215	3.602	53	123.4634	6.509	452
542	474	762	0:SP3_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	124.7710	0.000	1	124.7710	0.000	1	124.7710	0.000	1	124.7710	0.000	1	123.1155	5.481	2	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	N[5,6,6]-3:C[5,6]-4:O-1:	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	123.1155	5.481	2	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	C[5,5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	118.9365	0.827	4	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	118.6833	0.856	3	118.9365	0.827	4	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	119.1645	0.568	2	119.1645	0.322	2	119.1645	0.322	2	118.6833	0.856	3	118.9365	0.827	4	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:O[5]-2:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.1765	0.230	2	121.1765	0.053	2	121.1765	0.053	2	120.8557	0.335	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:S[5]-2:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	120.8557	0.335	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:2:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:O[5]-2:C-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	125.9750	0.000	1	125.9750	0.000	1	125.9750	0.000	1	125.9750	0.000	1	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(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[5,6]C[5,6,6]C[5])(O){2|C<4>,3|C<3>,4|H<1>}	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.3170	0.000	1	119.3170	0.000	1	119.3170	0.000	1	119.8693	0.558	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.7190	0.000	1	120.7190	0.000	1	120.1455	0.658	2	119.8693	0.558	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.5720	0.000	1	119.5720	0.000	1	120.1455	0.658	2	119.8693	0.558	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6]C)(O)	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.8980	0.000	1	121.8980	0.000	1	121.8980	0.000	1	122.7200	1.351	2	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,3|H<1>,4|C<4>}	123.5420	0.000	1	123.5420	0.000	1	123.5420	0.000	1	122.7200	1.351	2	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2{1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	115.9420	0.000	1	115.9420	0.000	1	115.9420	0.000	1	118.5287	5.260	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	119.3300	0.000	1	119.3300	0.000	1	119.3300	0.000	1	118.5287	5.260	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.3140	0.000	1	120.3140	0.000	1	120.3140	0.000	1	118.5287	5.260	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:2:2:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-2:C-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(CN)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(CN)2{2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	124.6830	0.000	1	124.6830	0.000	1	122.9735	5.845	2	122.9735	5.845	2	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:2:2:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-2:C-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2{3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	121.2640	0.000	1	121.2640	0.000	1	122.9735	5.845	2	122.9735	5.845	2	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){2|C<4>,2|H<1>,3|C<3>}	121.8600	0.000	2	121.8600	0.000	2	121.5197	0.347	3	121.5197	0.347	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|S<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){2|C<4>,2|H<1>,3|C<3>}	120.8390	0.000	1	120.8390	0.000	1	121.5197	0.347	3	121.5197	0.347	3	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	3:4:4:4:	3:3:4:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3)	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2{1|C<4>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	126.6450	0.000	1	126.6450	0.000	1	126.6450	0.000	1	126.6450	0.000	1	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5,6]	C[5]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]C[6a]H)(C[6]C[6]O)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	122.5490	0.000	1	122.5490	0.000	1	122.5490	0.000	1	122.5490	0.000	1	120.8268	15.437	20	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5]	C[5]	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[6]-3:C[6]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(C[6]C[6]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]HH){1|Rh<8>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)2{1|N<3>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.5885	0.883	2	120.5885	0.780	2	120.5885	0.780	2	120.5885	0.780	2	121.6027	8.243	7	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5]	C[5]	C[6]	3:4:4:	3:4:1:1:	3:3:2:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:N[5]-3:N[6]-2:	N[5](C[6]C[6,6a]N[6])(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]2)(N[6]C[6])	N[5](C[6]C[6,6a]N[6])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]2)(N[6]C[6]){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	122.0885	4.972	2	122.0885	24.717	2	122.0885	24.717	2	122.0885	24.717	2	121.6027	8.243	7	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5]	C[5]	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-3:N[5]-3:N[6]-3:	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O)	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	121.6027	8.243	7	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5]	C[5]	C[6]	3:4:4:	3:4:3:1:	3:3:3:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O)	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	123.4260	0.000	1	123.4260	0.000	1	123.4260	0.000	1	123.4260	0.000	1	121.6027	8.243	7	120.9010	11.860	33
542	474	762	0:SP3_SP2_SP3	N[5]	C[5]	C[6]	4:3:3:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>}	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	124.2040	0.000	1	124.2040	0.000	1	124.2040	0.000	1	124.2040	0.000	1	121.6027	8.243	7	120.9010	11.860	33
542	474	762	6:SP2_SP2_SP3	N[5,3x6]	C[5,6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:	N[5,3x6]-3:C[5,5]-4:C[6,6]-4:H-1:	N[5,3x6]-3:C[6,6]-3:H-1:	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H)	C[6,6](N[5,3x6]C[5,6,6]2)(C[6,6]C[3x6]C)(H)	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](N[5,3x6]C[5,6,6]2)(C[6,6]C[3x6]C)(H){3|H<1>,4|C<4>}	111.0060	0.000	1	111.0060	0.000	1	111.0060	0.000	1	110.8865	0.029	2	110.8865	0.029	2	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,3x6]	C[5,6,6]	C[6,6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:	N[5,3x6]-3:C[6,6]-4:C[5]-4:H-1:	N[5,3x6]-3:C[6,6]-3:H-1:	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H)	C[6,6](N[5,3x6]C[5,6,6]2)(C[6,6]C[3x6]C)(H)	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](N[5,3x6]C[5,6,6]2)(C[6,6]C[3x6]C)(H){3|H<1>,4|C<4>}	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.8865	0.029	2	110.8865	0.029	2	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:3:	3:4:3:2:	3:4:1:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:	N[5,6,6]-3:C[5]-4:C[6,6]-3:S[6,6]-2:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6])	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5]C[5,6a]HH)(C[6,6]N[6,6]O)(S[6,6]S[6,6]){1|O<1>,2|C<3>,2|C<4>}	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[3x6]N[6,6]S[6,6]C)(O){1|S<2>,2|C<4>,3|C<3>}	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:3:2:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	117.9900	0.000	1	117.9900	0.000	1	118.6830	0.960	2	118.6830	0.960	2	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:3:2:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]N[6,6]S[6,6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	119.3760	0.000	1	119.3760	0.000	1	118.6830	0.960	2	118.6830	0.960	2	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:2:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:O[6,6]-2:C[5]-4:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	116.5060	0.000	1	116.5060	0.000	1	116.5060	0.000	1	116.5060	0.000	1	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:3:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O){2|C<3>,3|H<1>,4|C<4>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|C<4>,6|H<1>}	117.7870	0.000	2	117.8867	0.275	7	117.8867	0.275	7	117.7917	0.403	11	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){2|C<3>,4|C<4>,6|H<1>}	118.1765	0.352	4	117.8867	0.275	7	117.8867	0.275	7	117.7917	0.403	11	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){3|C<3>,4|C<4>,5|H<1>}	116.9270	0.000	1	117.8867	0.275	7	117.8867	0.275	7	117.7917	0.403	11	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|C<4>,6|H<1>}	118.8680	0.000	1	117.6255	0.737	4	117.6255	0.737	4	117.7917	0.403	11	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	3:4:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	117.2113	0.275	3	117.6255	0.737	4	117.6255	0.737	4	117.7917	0.403	11	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:3:4:	4:3:3:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:C[5]-4:	C[3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.8980	0.000	1	115.8980	0.000	1	115.8980	0.000	1	115.8980	0.000	1	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:3:4:2:	3:4:1:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	119.4330	0.204	2	119.4562	0.048	4	119.4562	0.048	4	119.4562	0.048	4	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:3:4:2:	3:4:1:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](N[5,6,6]C[5,3x6]C[5,5])(C[3x6]N[6,6]S[6,6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	119.4795	0.319	2	119.4562	0.048	4	119.4562	0.048	4	119.4562	0.048	4	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	119.5970	0.000	1	119.5660	0.017	5	119.5660	0.017	5	119.5660	0.017	5	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	119.5080	0.000	1	119.5660	0.017	5	119.5660	0.017	5	119.5660	0.017	5	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	119.5050	0.000	1	119.5660	0.017	5	119.5660	0.017	5	119.5660	0.017	5	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	C[5,3x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[5,6,6]C[5,3x6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	119.6100	0.235	2	119.5660	0.017	5	119.5660	0.017	5	119.5660	0.017	5	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:4:3:4:	3:4:1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]N[6,6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	117.1730	0.000	1	117.1730	0.000	1	117.1730	0.000	1	117.1730	0.000	1	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:4:3:4:	4:3:1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	117.4135	0.523	2	117.5857	0.225	3	117.5857	0.225	3	117.5857	0.225	3	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,3x6]	C[6,6]	4:4:3:	3:4:3:4:	4:3:1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	C[4x6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	117.9300	0.000	1	117.5857	0.225	3	117.5857	0.225	3	117.5857	0.225	3	118.3454	1.416	30	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,5,3x6]	C[6,6]	4:3:3:	3:4:3:4:	3:4:1:	C[5,5,3x6]-4:C[5,6a]-3:C[6,6]-3:	N[5,6,6]-3:C[5,5]-4:N[5,6,6]-3:C[6,6]-4:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O)	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC)	C[6,6](N[5,6,6]C[5,5,3x6]C[5,6a])(C[3x6]C[6,6]2H)(O)	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]O){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[6,6](N[5,6,6]C[5,5,3x6]C[5,6a])(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	114.4550	0.000	1	114.4550	0.000	1	114.4550	0.000	1	114.4550	0.000	1	115.6565	2.887	2	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,5,3x6]	C[6,6]	4:3:4:	3:4:3:4:	3:4:1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5,5]-4:N[5,6,6]-3:C[6,6]-4:	N[5,6,6]-3:C[3x6]-4:O-1:	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC)	C[6,6](N[5,6,6]C[5,5,3x6]C[5])(C[3x6]C[6,6]2H)(O)	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[6,6](N[5,6,6]C[5,5,3x6]C[5])(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	116.8580	0.000	1	116.8580	0.000	1	116.8580	0.000	1	116.8580	0.000	1	115.6565	2.887	2	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,5,6,6]	C[6]	4:4:3:	3:4:2:3:	3:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	N[5,6,6]-3:C[5,6]-4:O-1:	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	125.3350	0.000	1	125.3350	0.000	1	125.3350	0.000	1	125.3350	0.000	1	125.3350	0.000	1	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6,6]	4:3:3:	3:4:3:3:	3:4:3:	C[5,6,6]-4:C[5,6]-3:C[6,6]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-3:N[6]-3:	N[5,6,6]-3:C[6]-4:C[6]-3:	N[5,6,6](C[5,6,6]C[5,6]C[6]N[6])(C[5,6]C[5]C[6])(C[6,6]C[6]2)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H)	N[5,6,6](C[5,6,6]C[5,6]C[6]N[6])(C[5,6]C[5]C[6])(C[6,6]C[6]2){6|C<3>,7|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:3:3:4:	3:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	N[5,6,6]-3:C[5]-3:C[6]-3:C[6]-4:	N[5,6,6]-3:C[6,6a]-3:O-1:	N[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,5|C<3>}	126.3660	0.000	1	126.3660	0.000	1	126.3660	0.000	1	126.3660	0.000	1	126.7632	1.461	5	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:2:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	125.4620	0.000	1	125.4620	0.000	1	125.4620	0.000	1	126.8625	1.882	4	126.7632	1.461	5	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:2:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	125.9220	0.000	1	127.3293	1.516	3	127.3293	1.516	3	126.8625	1.882	4	126.7632	1.461	5	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:2:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	128.0330	0.246	2	127.3293	1.516	3	127.3293	1.516	3	126.8625	1.882	4	126.7632	1.461	5	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6,6]-3:N[6]-3:N[6]-3:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2){1|C<3>,2|C<4>,9|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|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>}	124.6830	0.000	1	124.6830	0.000	1	124.6830	0.000	1	124.5440	0.039	2	124.5440	0.039	2	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6,6]	C[5,6]	C[6,6]	4:4:3:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6,6]-3:N[6]-3:N[6]-3:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[6,6](N[5,6,6]C[5,6]2)(N[6]C[6,6]H)(N[6]C[6]H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2){1|C<3>,2|C<4>,9|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|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>}	124.4050	0.000	1	124.4050	0.000	1	124.4050	0.000	1	124.5440	0.039	2	124.5440	0.039	2	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[3x5,6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|H<1>,6|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(O){1|O<2>,3|C<4>,4|H<1>}	125.4670	0.000	1	125.4670	0.000	1	125.3921	1.036	8	125.3152	0.751	11	125.3152	0.751	11	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[3x5,6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	125.5205	0.037	2	125.7870	0.205	5	125.3921	1.036	8	125.3152	0.751	11	125.3152	0.751	11	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[3x5,6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	125.4310	0.000	1	125.7870	0.205	5	125.3921	1.036	8	125.3152	0.751	11	125.3152	0.751	11	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[3x5,6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	126.2315	0.392	2	125.7870	0.205	5	125.3921	1.036	8	125.3152	0.751	11	125.3152	0.751	11	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[3x5,6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HO)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HO)(O){1|O<2>,3|C<4>,4|H<1>}	124.3675	1.883	2	124.3675	3.546	2	125.3921	1.036	8	125.3152	0.751	11	125.3152	0.751	11	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[3x5,6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[6]-4:S-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(S)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S){1|C<3>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|S<1>,3|C<3>,9|H<1>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]HH)(S){1|O<2>,3|C<4>,4|H<1>}	125.1100	0.204	3	125.1100	0.042	3	125.1100	0.042	3	125.3152	0.751	11	125.3152	0.751	11	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,3x6]	C[6]	4:4:3:	4:4:3:3:	3:3:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5,3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]H)(O)	N[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,4|H<1>}	125.4220	0.000	1	125.4220	0.000	1	125.4220	0.000	1	125.4220	0.000	1	124.5713	4.595	3	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,3x6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){4|C<4>,8|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	126.1590	0.000	1	126.1590	0.000	1	124.1460	8.104	2	124.1460	8.104	2	124.5713	4.595	3	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,3x6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|O<1>,4|C<4>,8|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	122.1330	0.000	1	122.1330	0.000	1	124.1460	8.104	2	124.1460	8.104	2	124.5713	4.595	3	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	3:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-3:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5])(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.0910	0.000	1	122.0910	0.000	1	122.0910	0.000	1	122.0910	0.000	1	124.6524	6.620	9	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|Cl<1>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]Cl)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	126.9760	0.000	1	126.9760	0.000	1	125.0298	3.523	6	125.0298	3.523	6	124.6524	6.620	9	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	126.1320	0.000	1	125.5810	0.607	2	125.0298	3.523	6	125.0298	3.523	6	124.6524	6.620	9	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){4|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,3|O<1>,6|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.0300	0.000	1	125.5810	0.607	2	125.0298	3.523	6	125.0298	3.523	6	124.6524	6.620	9	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.5200	0.000	1	124.0137	4.758	3	125.0298	3.523	6	125.0298	3.523	6	124.6524	6.620	9	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.2605	0.433	2	124.0137	4.758	3	125.0298	3.523	6	125.0298	3.523	6	124.6524	6.620	9	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6,6]-4:N[5,6]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6,6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6,6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	124.6524	6.620	9	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:4:3:	4:4:3:2:	3:4:1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5])	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5]){13|H<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	128.5350	0.000	1	128.5350	0.000	1	128.5350	0.000	1	128.5350	0.000	1	124.6524	6.620	9	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6,6a]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,2|H<1>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.6720	0.000	1	121.6720	0.000	1	120.7080	1.859	2	120.7080	1.859	2	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6,6a]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[6,6a]C[5])(H){2|H<1>,2|O<1>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.7440	0.000	1	119.7440	0.000	1	120.7080	1.859	2	120.7080	1.859	2	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:3:3:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[5,6]-3:N[5]-3:N[5]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,5,6]C[5,6]N[5]2)(C[5]C[5]C)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5]C[6])(N[5]C[5,6a]O)(N[5]C[5]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]O)(O)	N[5,6](C[5,5,6]C[5,6]N[5]2)(C[5]C[5]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5]C[6])(N[5]C[5,6a]O)(N[5]C[5]H){1|H<1>,2|O<1>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:4:3:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]N[6]O)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]N[6]O)(O){3|C<3>,3|C<4>}	123.0355	0.339	2	123.0355	0.115	2	123.0355	0.115	2	123.0355	0.115	2	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6]C[5,5]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.8320	0.000	1	124.8320	0.000	1	124.8320	0.000	1	124.8320	0.000	1	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:3:4:	4:3:4:2:	3:3:1:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:N[5]-2:	C[5a,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	125.8990	0.000	1	125.8990	0.000	1	125.8990	0.000	1	125.8990	0.000	1	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[5]H)(O)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[5]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	125.6950	0.000	1	125.6950	0.000	1	123.7037	3.681	4	123.7037	3.681	4	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[6]H)(O)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[6]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	122.5410	0.000	1	122.5410	0.000	1	123.7037	3.681	4	123.7037	3.681	4	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:3:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6a]C[6]H)(O)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6a]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	123.2895	2.320	2	123.2895	5.382	2	123.7037	3.681	4	123.7037	3.681	4	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){2|C<4>,2|O<1>,7|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(O){1|O<1>,3|C<4>,3|H<1>}	124.0590	0.000	2	124.0590	0.000	2	124.0590	0.000	2	124.0590	0.000	2	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:4:3:	4:4:3:2:	3:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:N[5,6]-3:N[5]-2:	C[5a,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O)	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	125.4880	0.000	2	125.4880	0.000	2	125.4880	0.000	2	125.4880	0.000	2	123.5275	3.759	15	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6,6]	4:3:4:	3:2:4:4:	3:4:3:	C[5,6,6]-4:C[6,6]-3:C[5]-4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	N[5,6]-3:C[6,6]-4:C[6]-3:	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H)	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH){6|C<4>,6|H<1>}	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|C<3>,3|C<4>,6|H<1>}	C[6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[6]C[3x6]H){1|O<2>,4|H<1>,8|C<4>}	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	3:4:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[6,6]-4:C[5]-3:N[6]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5,6,6](N[5,6]C[5,6a]C[6])(C[6,6]C[6]2C)(C[5]C[5,6a]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.1060	0.000	2	121.1060	0.000	2	121.1060	0.000	2	121.1060	0.000	2	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:3:1:	3:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	122.4260	0.000	1	122.4260	0.000	1	122.4260	0.000	1	122.4260	0.000	1	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:1:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]C)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]O[6]O)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]O[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	119.8580	0.000	1	119.8580	0.000	1	119.8580	0.000	1	119.8580	0.000	1	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:3:4:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-4:N[5,6]-3:C[6,6]-4:C[6a]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[5,6a]C[6]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	125.7160	0.000	1	125.7160	0.000	1	125.7160	0.000	1	125.7160	0.000	1	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.0160	0.000	1	119.1465	0.543	35	119.1465	0.543	35	119.1465	0.543	35	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.6557	0.602	4	119.1465	0.543	35	119.1465	0.543	35	119.1465	0.543	35	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.0497	0.726	30	119.1465	0.543	35	119.1465	0.543	35	119.1465	0.543	35	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	3:3:4:1:	3:2:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]2)(C[6]O[6]O)	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H)	C[6](N[5,6]C[5,6,6]C[5,6])(O[6]C[6])(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]2)(C[6]O[6]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](N[5,6]C[5,6,6]C[5,6])(O[6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	122.8615	0.214	2	122.8615	0.046	2	122.8615	0.046	2	122.8615	0.046	2	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	126.4810	0.000	1	126.6855	0.084	2	126.6855	0.084	2	126.6855	0.084	2	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	126.8900	0.000	1	126.6855	0.084	2	126.6855	0.084	2	126.6855	0.084	2	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	4:3:3:2:	3:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	N[5,6]-3:C[5,6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	4:3:3:2:	4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O)	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6,6]C[5,6])(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	126.6120	0.000	1	126.6120	0.000	1	126.6120	0.000	1	126.6120	0.000	1	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO){10|H<1>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	126.6020	0.000	1	126.6020	0.000	1	126.6020	0.000	1	126.6020	0.000	1	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	120.5485	7.005	49	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:3:2:4:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH){1|C<4>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO){6|C<3>}	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:3:4:4:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:N[5]-3:C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.0810	0.000	1	125.0810	0.000	1	125.0810	0.000	1	125.0810	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	124.2845	0.872	2	124.2845	0.760	2	124.2845	0.760	2	123.8013	1.080	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]O){4|C<3>,5|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	123.8013	1.080	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:4:3:2:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]S)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]S)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC){1|O<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O){1|C<4>,1|S<2>,3|C<3>}	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){2|C<3>,8|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]CC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(O){2|C<3>,2|C<4>,3|H<1>}	123.8180	0.000	1	123.8180	0.000	1	124.8447	0.908	3	124.8447	0.908	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	125.0150	0.000	1	125.0150	0.000	1	124.8447	0.908	3	124.8447	0.908	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	125.7010	0.000	1	125.7010	0.000	1	124.8447	0.908	3	124.8447	0.908	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	4:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-3:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:2:	3:3:2:3:	3:3:4:	C[5,6]-4:C[6]-3:N[5]-2:	C[6,6a]-3:N[5,6]-3:S[5]-2:C-3:	N[5,6]-3:N[6]-3:C-4:	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]N[6]C)(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3)	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]N[6]C)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(S[5]C[5])(COO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3){1|S<2>,4|C<3>}	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:2:	3:3:4:1:	3:2:1:	C[5,6]-4:C[6]-3:N[5]-2:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]O)(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]N[5])(O[6]C[6,6a])(O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]O)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[5,6]C[5,6]N[5])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,3|C<3>}	125.6700	0.000	1	125.6700	0.000	1	125.6700	0.000	1	125.6700	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:2:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-3:N[5]-2:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:N[6]-3:S-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]S)(N[5]C[5])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6]H)(S)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]S)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6]H)(S){1|C<4>,1|H<1>,3|C<3>}	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:2:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-2:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]C[6])(N[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6a]C[6])(N[5]C[5]){1|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[6]N[5])(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	122.8840	0.000	1	122.8840	0.000	1	122.8840	0.000	1	122.8840	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C[5,6]-4:N[5]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(N[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(N[5]N[5]C)(H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	118.2260	0.000	1	118.2260	0.000	1	118.2260	0.000	1	118.2260	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|O<2>,6|C<3>}	120.8850	0.000	1	120.8850	0.000	1	120.8850	0.000	1	120.8850	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:2:3:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C[6a]-3:	N[5,6]-3:N[6]-2:C-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a])(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]N[6]C){1|H<1>,1|O<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a])(CC[6a]O){6|C<3>}	118.1920	0.000	1	118.1920	0.000	1	118.1920	0.000	1	118.1920	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O){1|C<4>,5|C<3>}	119.9900	0.000	1	119.9900	0.000	1	119.9900	0.000	1	119.0773	1.619	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6a]-3:N[5,6]-3:C[5]-3:C[6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,5|C<3>}	119.6180	0.000	1	119.6180	0.000	1	119.6180	0.000	1	119.0773	1.619	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]H)(H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]H)(H){1|C<4>,1|O<1>,4|C<3>}	117.6240	0.000	1	117.6240	0.000	1	117.6240	0.000	1	119.0773	1.619	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:3:4:	3:4:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HN){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,4|C<3>}	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:2:3:	C[5,6]-4:C[6]-3:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:N[6]-2:N-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:2:1:	C[5,6]-4:N[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:N[6]-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]S)(C[6]N[6]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[6]N[5])(H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-2:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>}	119.2280	0.000	1	119.2280	0.000	1	119.2280	0.000	1	119.2280	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]N[5]H)(C[6]N[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]N[5]H)(C[6]N[6]O){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	127.8380	0.000	1	127.8380	0.000	1	127.8380	0.000	1	127.8380	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:2:	C[5,6]-4:C[5]-3:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:C[6]-3:O-2:	N[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(OC)	N[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	119.9765	0.202	2	119.9765	0.041	2	119.9765	0.041	2	119.9765	0.041	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(C[6]C[6]O){1|C<4>,1|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	127.0440	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC){2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	121.3690	0.000	1	121.3690	0.000	1	121.3690	0.000	1	121.3690	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CH){1|H<1>,2|O<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	125.3370	0.000	1	125.3370	0.000	1	125.3370	0.000	1	125.3370	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:N[6,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	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>}	120.3100	0.000	1	120.8175	0.515	2	120.8175	0.515	2	122.1612	2.306	5	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:N[6,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|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>}	121.3250	0.000	1	120.8175	0.515	2	120.8175	0.515	2	122.1612	2.306	5	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.3875	0.042	2	122.3875	0.002	2	123.0570	1.346	3	122.1612	2.306	5	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC){2|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	124.3960	0.000	1	124.3960	0.000	1	123.0570	1.346	3	122.1612	2.306	5	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	127.0010	0.000	1	127.0010	0.000	1	127.0010	0.000	1	124.1873	3.913	14	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,4|H<1>}	121.7185	0.293	2	123.4670	7.038	4	124.2002	4.427	10	124.1873	3.913	14	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,4|C<4>,4|H<1>}	125.2155	2.966	2	123.4670	7.038	4	124.2002	4.427	10	124.1873	3.913	14	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	123.7330	0.458	2	124.6890	3.030	6	124.2002	4.427	10	124.1873	3.913	14	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	125.1670	2.016	4	124.6890	3.030	6	124.2002	4.427	10	124.1873	3.913	14	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,3|C<4>,5|H<1>}	123.1750	0.000	1	123.1750	0.000	1	123.2063	0.109	3	124.1873	3.913	14	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	123.5510	0.000	1	123.2220	0.216	2	123.2063	0.109	3	124.1873	3.913	14	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	122.8930	0.000	1	123.2220	0.216	2	123.2063	0.109	3	124.1873	3.913	14	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:2:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH)	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	125.8095	1.232	2	125.8095	1.519	2	125.8095	1.519	2	125.3265	0.935	6	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:2:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	124.3145	0.176	2	124.3145	0.031	2	125.0850	0.818	4	125.3265	0.935	6	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:2:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|S<2>,4|C<4>,4|H<1>}	125.8555	0.221	2	125.8555	0.049	2	125.0850	0.818	4	125.3265	0.935	6	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:3:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H){5|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	120.7400	0.000	1	120.7400	0.000	1	120.7400	0.000	1	120.7400	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:2:4:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){2|O<2>,3|C<3>,4|C<4>}	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	126.9050	0.000	1	126.9050	0.000	1	122.1325	45.554	2	122.1325	45.554	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	117.3600	0.000	1	117.3600	0.000	1	122.1325	45.554	2	122.1325	45.554	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,3|H<1>}	124.3150	0.000	1	124.3150	0.000	1	124.3150	0.000	1	124.3150	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	120.6020	0.137	2	120.6020	0.019	2	120.6020	0.019	2	120.2320	0.143	5	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	119.9853	0.220	3	119.9853	0.048	3	119.9853	0.048	3	120.2320	0.143	5	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	127.1090	0.000	1	127.1090	0.000	1	126.7940	0.209	3	126.7940	0.209	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[6](C[6,6]C[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(N[5,6]C[5,6]C[5])(O){5|C<4>,6|H<1>}	127.0040	0.000	1	127.0040	0.000	1	126.7940	0.209	3	126.7940	0.209	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<2>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[5,6]C[5,6]C[5])(O){5|C<4>,6|H<1>}	126.2690	0.000	1	126.2690	0.000	1	126.7940	0.209	3	126.7940	0.209	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:1:	4:3:2:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:N-2:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(N[5,6]C[5,6]C[5])(NC[6a]){2|C<3>,4|C<4>,5|H<1>}	120.4160	0.000	1	120.4160	0.000	1	120.4160	0.000	1	120.4160	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:3:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:N-3:	C[5a,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	125.2170	0.000	1	125.2170	0.000	1	125.2170	0.000	1	125.2170	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:4:4:	3:3:3:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[6a]-3:C[6]-3:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]C[5])(O){1|O<2>,4|H<1>,5|C<4>}	126.4140	0.000	1	126.4140	0.000	1	126.4140	0.000	1	126.4140	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,3|C<4>,6|H<1>}	126.9900	0.000	1	126.9900	0.000	1	126.9900	0.000	1	126.9900	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:S[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	124.1115	0.271	2	124.1115	0.073	2	124.1115	0.073	2	124.1115	0.073	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:2:2:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5a]-3:N[5,6]-3:S[5]-2:S[6]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|S<2>,3|H<1>}	124.4960	5.220	2	124.4960	27.247	2	124.4960	27.247	2	124.4960	27.247	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:1:	3:3:1:	C[5,6]-4:S[5]-4:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]N[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6](N[5,6]C[5,6]S[5])(N[6]C[6,6a]H)(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]N[6]O){1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[6](N[5,6]C[5,6]S[5])(N[6]C[6,6a]H)(O){1|H<1>,2|O<1>,4|C<3>}	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3)	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	119.2210	0.000	1	119.2210	0.000	1	119.2210	0.000	1	119.2210	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:2:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:C[6]-3:S-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|O<1>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC){1|O<1>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:3:	3:3:1:	C[5,6]-4:S[5]-4:C[6]-3:	N[5a,6]-3:C[5,6a]-3:N[5,6]-3:C-3:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]N[5a,6]C)(S[5]C[5,6a]OO)(C[6]C[6,6a]O)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO)	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6]S[5])(O)	N[5,6](C[5,6]C[5,6a]N[5a,6]C)(S[5]C[5,6a]OO)(C[6]C[6,6a]O){5|C<3>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO){2|H<1>,3|O<1>,5|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6]S[5])(O){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	123.9310	0.000	1	123.9310	0.000	1	123.9310	0.000	1	123.9310	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:4:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C-4:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	125.9090	0.000	2	125.9090	0.000	2	125.9090	0.000	2	125.9090	0.000	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:C[5]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(O)	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,6|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,1|S<2>,3|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	126.5470	0.000	1	126.5470	0.000	1	126.5470	0.000	1	125.2345	3.445	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:N[5]-3:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO){1|C<4>,2|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.9220	0.000	1	123.9220	0.000	1	123.9220	0.000	1	125.2345	3.445	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	127.4720	0.000	1	127.4720	0.000	1	127.0247	1.116	4	127.0247	1.116	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|O<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	127.5835	0.276	2	127.5835	0.076	2	127.0247	1.116	4	127.0247	1.116	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O){1|O<2>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.4600	0.000	1	125.4600	0.000	1	127.0247	1.116	4	127.0247	1.116	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:N[6]-3:S-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(S)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S){3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(S){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.2630	1.113	2	122.2630	1.239	2	122.2630	1.239	2	123.1707	3.091	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	124.9860	0.000	1	124.9860	0.000	1	124.9860	0.000	1	123.1707	3.091	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HS)(O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HS)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	125.1010	0.000	1	125.1010	0.000	1	125.1010	0.000	1	125.1010	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H)	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	124.8740	0.000	1	124.8740	0.000	1	124.8740	0.000	1	124.8740	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:2:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.9820	0.000	1	124.9820	0.000	1	124.9820	0.000	1	124.9820	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	124.1900	0.000	1	125.2660	0.966	3	125.4387	0.764	4	125.4387	0.764	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	125.8040	0.443	2	125.2660	0.966	3	125.4387	0.764	4	125.4387	0.764	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS)	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6,6]N[5,6,6]C[5]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	125.9570	0.000	1	125.9570	0.000	1	125.4387	0.764	4	125.4387	0.764	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	122.7995	0.375	2	122.7995	0.141	2	122.7995	0.141	2	122.5100	0.322	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6a]-3:N[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|N<2>,5|C<3>,5|H<1>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){2|H<1>,3|C<3>,3|C<4>}	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	122.5100	0.322	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|H<1>,4|C<4>}	126.3440	1.030	2	126.3440	1.060	2	125.6625	0.562	12	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.7680	0.000	1	125.5220	0.121	2	125.6625	0.562	12	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.2760	0.000	1	125.5220	0.121	2	125.6625	0.562	12	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	125.5430	0.000	2	125.5430	0.000	2	125.6625	0.562	12	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	126.2570	0.684	2	126.2570	0.469	2	125.6625	0.562	12	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	125.4760	1.177	2	125.4760	1.384	2	125.6625	0.562	12	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	124.8330	0.000	2	124.8330	0.000	2	125.6625	0.562	12	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[6]-4:S-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(S)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	125.5010	0.000	1	125.5010	0.000	1	125.5010	0.000	1	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	125.9880	0.000	1	125.7365	0.127	2	123.7513	11.886	3	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	125.4850	0.000	1	125.7365	0.127	2	123.7513	11.886	3	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	119.7810	0.000	1	119.7810	0.000	1	123.7513	11.886	3	125.2941	2.584	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O){2|C<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:3:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:N[6]-2:C-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O)	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,2|H<1>,3|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO){1|C<3>,2|H<1>,3|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O){1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	122.1530	0.000	1	122.1530	0.000	1	122.1530	0.000	1	122.1530	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CN)(O)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CN)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	126.3520	0.000	1	126.3520	0.000	1	126.3520	0.000	1	126.3520	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.3280	0.000	1	125.3280	0.000	1	125.3280	0.000	1	125.3280	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]CH)(O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]CH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	122.5170	0.000	1	121.9503	0.276	3	121.9503	0.276	3	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6]2)(C[6]N[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	121.6670	0.264	2	121.9503	0.276	3	121.9503	0.276	3	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,5|H<1>}	120.6950	0.000	2	120.6950	0.000	2	120.6950	0.000	2	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	124.6130	0.000	1	124.9962	3.025	9	124.7965	2.280	17	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	125.0024	2.418	5	124.9962	3.025	9	124.7965	2.280	17	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	125.1137	0.554	3	124.9962	3.025	9	124.7965	2.280	17	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CO)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CO)(O){1|C<3>,2|C<4>,4|H<1>}	125.3010	0.000	1	125.3010	0.000	1	124.7965	2.280	17	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<1>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	121.9530	0.000	1	121.9530	0.000	1	124.7965	2.280	17	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CC)(O){1|C<3>,2|C<4>,3|H<1>}	124.4680	0.000	1	124.4680	0.000	1	124.7965	2.280	17	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.7130	0.000	1	123.7130	0.000	1	124.7965	2.280	17	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	125.2850	0.669	4	125.2850	0.448	4	124.7965	2.280	17	124.0518	3.744	23	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	125.5880	0.750	2	125.5880	0.562	2	122.5711	3.521	10	123.2489	3.111	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){3|C<3>,3|C<4>,4|H<1>}	121.1595	0.775	4	121.8169	1.196	8	122.5711	3.521	10	123.2489	3.111	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){3|C<3>,3|C<4>,4|H<1>}	123.3250	0.457	2	121.8169	1.196	8	122.5711	3.521	10	123.2489	3.111	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	121.6235	0.081	2	121.8169	1.196	8	122.5711	3.521	10	123.2489	3.111	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	124.3037	0.762	4	124.3037	0.580	4	124.4844	0.598	5	123.2489	3.111	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	125.2070	0.000	1	125.2070	0.000	1	124.4844	0.598	5	123.2489	3.111	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	4:3:1:	C[5]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(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[5,6]C[5,6]C[5])(O){2|C<3>,4|C<4>,4|H<1>}	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	123.2489	3.111	16	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:2:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O)	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	124.6110	1.160	2	124.6110	1.345	2	124.6110	1.345	2	124.6110	1.345	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:2:	3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]O)(C[6]C[6]O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HO)(O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]O)(C[6]C[6]O){1|N<3>,1|O<1>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HO)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	123.9630	0.000	1	123.9630	0.000	1	123.9630	0.000	1	124.1670	0.083	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:2:	3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]S)(C[6]C[6]O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HS)(O)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]S)(C[6]C[6]O){1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]HS)(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	124.3710	0.000	1	124.3710	0.000	1	124.3710	0.000	1	124.1670	0.083	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:2:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS)	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]N[5,6]S[6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	125.5140	0.000	1	125.5140	0.000	1	125.5140	0.000	1	124.6884	0.449	5	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:2:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	124.4820	0.561	4	124.4820	0.315	4	124.4820	0.315	4	124.6884	0.449	5	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:3:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:N[6]-3:C-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O)	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,3|H<1>,3|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO){1|C<3>,2|H<1>,3|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	119.6730	0.000	1	119.6730	0.000	1	119.6730	0.000	1	119.6730	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:4:	3:3:2:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:N[5]-3:C-4:	N[5,6]-3:C[6]-3:N-2:	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]N)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH)	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]N){1|C<4>,1|N<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)(CH3){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(NH){1|N<3>,2|H<1>,5|C<4>}	123.3810	0.000	1	123.3810	0.000	1	123.3810	0.000	1	123.3810	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<1>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|O<1>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,6|C<4>}	123.6060	0.000	1	123.6060	0.000	1	125.4103	2.453	3	125.4103	2.453	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	126.4200	0.000	1	126.4200	0.000	1	125.4103	2.453	3	125.4103	2.453	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CS)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]CS)(O){1|C<3>,2|H<1>,4|C<4>}	126.2050	0.000	1	126.2050	0.000	1	125.4103	2.453	3	125.4103	2.453	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:O[6]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H)	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(O[6]C[6])(O){4|C<4>,4|H<1>}	125.1635	0.200	2	125.1635	0.040	2	125.1635	0.040	2	125.1635	0.040	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	126.9000	0.000	1	126.9000	0.000	1	124.6317	4.053	3	124.2510	3.282	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	123.4975	0.623	2	123.4975	0.388	2	124.6317	4.053	3	124.2510	3.282	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O){1|O<1>,3|C<4>,3|H<1>}	123.1090	0.000	1	123.1090	0.000	1	123.1090	0.000	1	124.2510	3.282	4	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O)	N[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	124.6520	0.000	1	124.6520	0.000	1	124.6520	0.000	1	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	122.2800	1.734	2	122.2800	3.006	2	122.2800	3.006	2	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O){2|C<4>,2|O<2>,8|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	126.5010	0.000	1	126.5010	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,3|C<4>,4|H<1>}	127.4850	0.000	1	127.4850	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,3|C<4>,4|H<1>}	128.2385	0.746	2	128.2385	0.557	2	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N[5]H)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N[5]H)(O){3|C<3>,3|C<4>,4|H<1>}	122.9238	3.005	5	122.9238	9.030	5	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	125.8570	0.000	1	125.8570	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,3|C<4>,4|H<1>}	127.8790	0.000	1	127.8790	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	126.8310	0.000	1	126.8310	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	127.0210	0.000	1	127.0210	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	127.1960	0.000	1	127.1960	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(O){3|C<4>,3|H<1>}	123.4140	0.000	1	123.4140	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	125.8140	0.000	1	125.8140	0.000	1	125.5684	7.128	16	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:S[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,2|O<1>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	123.5960	0.000	1	123.5960	0.000	1	123.5960	0.000	1	125.0951	6.937	20	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:3:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	124.6390	0.000	1	124.6390	0.000	1	124.3730	0.142	2	124.3730	0.142	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3){1|O<1>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	124.1070	0.000	1	124.1070	0.000	1	124.3730	0.142	2	124.3730	0.142	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:2:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H)	C[6](C[5,6]C[5,6]C[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,4|C<4>,5|H<1>}	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(O)	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H){1|B<3>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(O){1|C<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	123.5880	0.643	2	123.5880	0.414	2	123.6507	0.219	3	123.6507	0.219	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	123.7760	0.000	1	123.7760	0.000	1	123.6507	0.219	3	123.6507	0.219	3	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O)	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H)	C[6](C[6,6]C[6,6a]N[6,6]C[6a])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]C[6a])(N[5,6]C[5,6]C[5])(O){3|C<4>,3|H<1>,5|C<3>}	123.5440	0.000	1	123.5440	0.000	1	123.5440	0.000	1	123.5440	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:N[5,6]-3:N[6]-3:C-3:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[3x5,6]N[6]C)(C[5]C[5,5,6]HH)(C[6]N[6]O)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[5,6](C[5,6]C[3x5,6]N[6]C)(C[5]C[5,5,6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.9950	0.000	1	122.9950	0.000	1	122.9950	0.000	1	122.9950	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	126.2350	0.000	1	126.3043	0.198	3	126.2322	0.153	4	126.4182	0.176	6	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	126.7800	0.000	1	126.3043	0.198	3	126.2322	0.153	4	126.4182	0.176	6	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	125.8980	0.000	1	126.3043	0.198	3	126.2322	0.153	4	126.4182	0.176	6	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	126.0160	0.000	1	126.0160	0.000	1	126.2322	0.153	4	126.4182	0.176	6	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	126.7900	0.083	2	126.7900	0.007	2	126.7900	0.007	2	126.4182	0.176	6	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O)	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O){1|N<2>,1|N<3>,1|S<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|S<2>,4|C<4>,4|H<1>}	123.3955	1.145	2	123.3955	1.311	2	123.3955	1.311	2	123.3955	1.311	2	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP2_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5]2N[5])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5]2N[5])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|O<1>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){4|C<4>,4|H<1>}	123.8890	0.000	1	123.8890	0.000	1	123.8890	0.000	1	123.8890	0.000	1	123.8630	5.987	225	122.9362	10.001	356
542	474	762	6:SP3_SP2_SP3	N[5,6,6]	C[5,5,6,6]	C[6]	4:4:3:	3:4:2:3:	3:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	N[5,6,6]-3:C[5,6]-4:O-1:	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	124.4870	0.000	1	124.4870	0.000	1	124.4870	0.000	1	124.4870	0.000	1	124.4870	0.000	1	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6,6]	C[5,6,6]	C[6]	4:4:3:	3:4:3:2:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	C[5,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,3x6]	C[6]	4:4:3:	4:4:3:4:	3:4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cl<1>,2|O<1>,4|C<4>,7|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	125.6330	0.000	1	125.6330	0.000	1	125.6330	0.000	1	125.6330	0.000	1	125.6330	0.000	1	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,2|O<1>,7|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.4827	0.356	4	125.3931	0.084	7	125.6219	0.354	12	125.6219	0.354	12	125.6219	0.354	12	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]H)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.2737	0.153	3	125.3931	0.084	7	125.6219	0.354	12	125.6219	0.354	12	125.6219	0.354	12	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,5,6,6]	C[6]	4:3:3:	4:3:3:4:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>,5|C<4>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){2|C<3>,2|C<4>,2|O<1>,8|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.9422	0.793	5	125.9422	0.629	5	125.6219	0.354	12	125.6219	0.354	12	125.6219	0.354	12	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,6]-3:N[5,6]-3:C[5,5]-4:C-4:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6]H){1|H<1>,1|O<2>,6|C<3>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	116.5670	0.000	1	116.5670	0.000	1	116.5670	0.000	1	116.5670	0.000	1	118.5940	8.217	2	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,5,6]	C[6]	4:4:3:	4:3:2:3:	3:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6]C)(O)	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.6210	0.000	1	120.6210	0.000	1	120.6210	0.000	1	120.6210	0.000	1	118.5940	8.217	2	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	3:4:4:4:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]O){1|C<3>,2|C<4>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]O[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	124.9550	0.000	1	124.9550	0.000	1	124.9550	0.000	1	124.9550	0.000	1	119.4213	5.812	31	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.9522	0.319	5	119.1154	0.314	27	119.1154	0.314	27	119.1154	0.314	27	119.4213	5.812	31	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6a]C[6])(H){1|N<4>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.1525	0.601	22	119.1154	0.314	27	119.1154	0.314	27	119.1154	0.314	27	119.4213	5.812	31	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[5]-4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O){2|C<4>,3|C<3>,4|H<1>}	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	119.4213	5.812	31	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	3:4:4:2:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	126.3520	0.000	1	126.3520	0.000	1	126.3520	0.000	1	126.3520	0.000	1	119.4213	5.812	31	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6,6]	C[6]	4:4:3:	4:4:3:1:	3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	119.4213	5.812	31	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	3:4:3:	3:3:3:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6]-4:C-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C){1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H){1|H<1>,1|N<3>,4|C<3>}	117.9030	0.000	1	117.9030	0.000	1	117.9030	0.000	1	117.9030	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:1:	3:2:3:	C[5,6]-4:C[6]-3:N[5]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:N[6]-2:N-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]N[6]N)(N[5]C[5]S){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]CN)(H){1|N<2>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:3:4:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]O){4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:1:	3:3:3:	C[5,6]-4:C[6]-3:N[5]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H)	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]N)(N[5]C[5]H){1|C<3>,2|C<2>,4|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH){2|C<3>,2|C<4>,2|H<1>}	122.4680	0.000	1	122.4680	0.000	1	122.4680	0.000	1	122.4680	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	3:4:3:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-4:	N[5,6]-3:N[6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]N[5]H)(C[6]N[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]N[5]H)(C[6]N[6]O){1|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(N[5,6]C[5]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	127.6500	0.000	1	127.6500	0.000	1	127.6500	0.000	1	127.6500	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:3:	4:3:3:2:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6]-3:O-1:	N[5,6](C[5,6]C[5,5]C[6a]O[6])(C[5]C[5]O)(C[6]C[6]O)	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(O)	N[5,6](C[5,6]C[5,5]C[6a]O[6])(C[5]C[5]O)(C[6]C[6]O){8|C<3>}	C[5,6](C[5,5]C[5,6a]2C[5])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6]){10|C<3>,2|H<1>,2|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	116.5050	0.000	1	116.5050	0.000	1	116.5050	0.000	1	116.5050	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	117.9430	0.000	1	117.9430	0.000	1	121.5775	5.874	4	121.5775	5.874	4	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.7975	0.098	2	122.7975	0.010	2	121.5775	5.874	4	121.5775	5.874	4	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	122.7720	0.000	1	122.7720	0.000	1	121.5775	5.874	4	121.5775	5.874	4	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:1:	3:3:2:	C[5,6]-4:S[5]-4:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6a]-3:N[6]-2:	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]C[6a]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(N[6]C[6,6a])	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]C[6a]N[6]){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(N[6]C[6,6a]){2|O<1>,3|H<1>,6|C<3>}	116.0820	0.491	2	116.0820	0.241	2	116.0820	0.241	2	116.0820	0.241	2	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:3:2:	3:3:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[6]-3:C-4:	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3)	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|C<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	117.1430	0.000	1	117.1430	0.000	1	118.9807	5.340	3	118.9807	5.340	3	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|H<1>,2|C<2>,2|C<3>,2|C<4>}	118.2240	0.000	1	118.2240	0.000	1	118.9807	5.340	3	118.9807	5.340	3	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){2|C<4>,2|H<1>,3|C<3>}	121.5750	0.000	1	121.5750	0.000	1	118.9807	5.340	3	118.9807	5.340	3	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:2:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	124.4390	0.000	1	124.4390	0.000	1	124.4390	0.000	1	124.4390	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	125.3720	0.000	1	125.4270	0.006	2	125.4270	0.006	2	125.4270	0.006	2	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:2:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,5,6,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	125.4820	0.000	1	125.4270	0.006	2	125.4270	0.006	2	125.4270	0.006	2	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:3:4:3:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	127.2630	0.000	1	127.2630	0.000	1	127.2630	0.000	1	127.2630	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:2:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	126.7190	0.000	1	126.7190	0.000	1	126.7190	0.000	1	126.7190	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(H){2|C<4>,2|H<1>,3|C<3>}	120.4960	0.000	2	120.4960	0.000	2	120.4960	0.000	2	120.4960	0.000	2	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:3:2:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	123.3685	0.419	2	123.3685	0.176	2	123.3685	0.176	2	123.3685	0.176	2	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3){2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,3|H<1>,4|C<4>}	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	121.1924	12.836	27	121.2414	12.231	75
542	474	762	6:SP3_SP2_SP3	N[5,6]	C[5,6]	C[6]	4:4:3:	4:3:3:4:	3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-4:O-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]C[6a]H)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.1924	12.836	27	121.2414	12.231	75