466	490	786	0:SP3_SP3_SP3	C[6]	C	B[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	B[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:N[5]-4:O[5]-2:	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H)	C(C[6]B[5,6]C[6]H)(CH3)2(H)	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5])	C[6](B[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CCCH)(H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C(C[6]B[5,6]C[6]H)(CH3)2(H)	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	116.2080	1.223	2	116.2080	1.496	2	116.2080	1.496	2	116.2080	1.496	2	116.2080	1.496	2	116.2080	1.496	2
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	3:3:4:1:	4:3:1:1:	4:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]H)2(CCHH)(Cl)	C(C[6]C[6]2Cl)(CC[5]O)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6]H)2(CCHH)(Cl){1|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(CC[5]O)(H)2	Cl(C[6]C[6]2C)	107.3565	0.101	2	107.3565	0.010	2	107.3565	0.010	2	107.3565	0.010	2	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	3:3:4:1:	4:3:3:1:	4:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	Cl(C[6]C[6]2C)	C[6](C[6]C[6]O)2(CC[6a]2H)(Cl){1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(C[6a]C[6a]2)2(H)	Cl(C[6]C[6]2C)	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	3:3:4:1:	4:3:4:1:	4:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	Cl(C[6]C[6]2C)	C[6](C[6]N[6]O)2(CC[6a]CH)(Cl){3|C<3>}	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(CHHN)(H)	Cl(C[6]C[6]2C)	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl)	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)(Cl){1|H<1>,2|C<4>}	C(C[6]C[6]2Cl)(CC[5]HH)(H)2	Cl(C[6]C[6]2C)	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	3:3:4:1:	4:4:4:4:	4:	C[6]-3:C[6]-3:C-4:Cl-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl)	C(C[6]C[6]2Cl)(CH3)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)(Cl){3|Cl<1>,1|C<4>}	C(C[6]C[6]2Cl)(CH3)3	Cl(C[6]C[6]2C)	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:2:4:1:	4:1:1:1:	4:	C[5,6]-4:O[6]-2:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl)	C(C[6]C[5,6]O[6]Cl)(H)3	Cl(C[6]C[5,6]O[6]C)	C[6](C[5,6]C[5,6,6]O[5]C)(O[6]C[6,6])(CH3)(Cl){2|O<2>,4|C<4>}	C(C[6]C[5,6]O[6]Cl)(H)3	Cl(C[6]C[5,6]O[6]C)	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	107.9050	0.000	1	108.0062	0.040	4	108.0062	0.040	4	108.0062	0.040	4	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:3:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(Cl){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	108.0400	0.230	3	108.0062	0.040	4	108.0062	0.040	4	108.0062	0.040	4	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-4:Cl-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl)	C(C[6]C[6]2Cl)(CCHH)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(CCHH)(Cl){1|O<2>,1|S<4>,3|C<3>}	C(C[6]C[6]2Cl)(CCHH)(H)2	Cl(C[6]C[6]2C)	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[5,6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl)	C(C[6]C[5,6]C[6]Cl)(H)3	Cl(C[6]C[5,6]C[6]C)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(Cl){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]Cl)(H)3	Cl(C[6]C[5,6]C[6]C)	104.3900	0.000	1	104.3900	0.000	1	104.3900	0.000	1	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl)	C(C[6]C[6]2Cl)(Cl)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CClHH)(Cl){1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(Cl)(H)2	Cl(C[6]C[6]2C)	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	106.2610	0.000	1	106.2610	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	107.0770	0.000	1	107.0770	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(CH3)(Cl){2|C<3>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	105.5840	0.000	1	105.5840	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CH3)(Cl){1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	107.2460	0.000	1	107.2460	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)(Cl){2|H<1>,3|C<4>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	105.3110	0.000	1	105.3110	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(Cl){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	106.3930	0.000	1	106.3930	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(Cl){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	106.2090	0.000	1	106.2090	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(Cl){1|Cl<1>,1|F<1>,2|C<4>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	105.0170	0.000	1	105.0170	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(Cl)	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(Cl){2|C<4>,3|H<1>}	C(C[6]C[6]2Cl)(H)3	Cl(C[6]C[6]2C)	106.4780	0.000	1	106.4780	0.000	1	106.1751	0.568	9	106.0964	0.851	11	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl)	C(C[6]C[6]2Cl)(OH)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(CHHO)(Cl){1|C<4>,4|H<1>}	C(C[6]C[6]2Cl)(OH)(H)2	Cl(C[6]C[6]2C)	105.4635	0.209	2	105.4635	0.044	2	105.4635	0.044	2	105.4635	0.044	2	107.2876	2.683	26	107.2876	2.683	26
466	490	790	0:SP3_SP-NON_SP3	C[6]	C	Cl	4:4:4:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:C-4:Cl-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl)	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	Cl(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(Cl){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2Cl)(C[6a]C[6a]2)(H)2	Cl(C[6]C[6]2C)	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	107.2876	2.683	26	107.2876	2.683	26
466	490	813	0:SP3_SP2_SP3	C[6,6]	C	N[5a,6]	3:4:2:4:	4:1:1:1:	4:3:2:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	111.3770	0.000	1	111.5818	0.060	5	111.5818	0.060	5	111.5818	0.060	5	111.5818	0.060	5	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6,6]	C	N[5a,6]	3:4:2:4:	4:1:1:1:	4:3:2:	N[5a,6]-3:C[6,6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3)	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6,6]N[5a,6]C[6,6]O[6])(H)3	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	111.6330	0.249	4	111.5818	0.060	5	111.5818	0.060	5	111.5818	0.060	5	111.5818	0.060	5	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:2:4:	4:1:1:1:	3:4:3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C[6]-4:F-1:F-1:F-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	C(C[6]N[5a,6]C[5a]O[6])(F)3	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C(C[6]N[5a,6]C[5a]O[6])(F)3	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	108.7125	0.534	2	108.7125	0.285	2	108.7125	0.285	2	108.7125	0.285	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:3:4:	4:1:1:1:	3:3:4:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C(C[6]N[5a,6]C[6a]N[6])(H)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<2>,6|C<3>}	C(C[6]N[5a,6]C[6a]N[6])(H)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C){1|N<2>,2|H<1>,5|C<3>}	112.5030	0.000	1	112.5030	0.000	1	112.5030	0.000	1	109.2553	8.049	3	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:3:4:	4:1:1:1:	3:3:4:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C(C[6]N[5a,6]C[6a]N[6])(F)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C(C[6]N[5a,6]C[6a]N[6])(F)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C){1|C<4>,2|H<1>,6|C<3>}	107.6315	0.525	2	107.6315	0.276	2	107.6315	0.276	2	109.2553	8.049	3	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:1:	4:3:1:1:	3:4:2:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<3>,2|N<2>}	C(C[6]N[5a,6]C[6]H)(C[6a]C[6a]2)(H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:1:	4:4:4:1:	3:3:4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H)	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CH3)2(H)	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,3|H<1>}	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	113.6540	0.000	1	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:2:	4:1:1:1:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C(C[6]C[6,6a]N[5a,6]O)(H)3	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]O)(H)3	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	108.0740	0.000	1	107.6690	0.328	2	107.6690	0.328	2	107.6690	0.328	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:2:	4:1:1:1:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C(C[6]C[6,6a]N[5a,6]O)(H)3	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]O)(H)3	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	107.2640	0.000	1	107.6690	0.328	2	107.6690	0.328	2	107.6690	0.328	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:2:	4:3:1:1:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]2)(H)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	107.2790	0.000	1	107.2790	0.000	1	107.2790	0.000	1	107.2790	0.000	1	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:2:4:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{4|C<3>}	C(C[6]N[5a,6]N[6]C)(H)3	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	109.1977	0.740	4	109.1977	0.548	4	109.1977	0.548	4	109.1977	0.548	4	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|N<2>,4|C<3>}	C(C[6]N[5a,6]N[6]C)(H)3	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|C<3>}	109.9602	4.023	6	109.9602	16.186	6	109.9602	16.186	6	109.9602	16.186	6	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:4:2:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C(C[6]N[5a,6]C[6]C)(H)3	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	C(C[6]N[5a,6]C[6]C)(H)3	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	109.3600	0.598	8	109.4665	0.329	10	109.2936	0.268	17	109.3650	0.358	23	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:4:2:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C(C[6]N[5a,6]C[6]C)(H)3	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,2|N<2>}	C(C[6]N[5a,6]C[6]C)(H)3	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<4>}	109.8925	0.005	2	109.4665	0.329	10	109.2936	0.268	17	109.3650	0.358	23	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:4:2:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2	C(C[6]N[5a,6]C[6]C)(H)3	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,2|N<2>}	C(C[6]N[5a,6]C[6]C)(H)3	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]CC)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<4>}	109.0467	0.319	7	109.0467	0.102	7	109.2936	0.268	17	109.3650	0.358	23	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:4:2:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{2|C<3>,2|N<2>}	C(C[6]N[5a,6]N[6]C)(H)3	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a]){1|H<1>,2|C<3>}	108.7965	0.999	2	108.7965	0.998	2	109.5673	0.648	6	109.3650	0.358	23	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:4:2:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|N<2>}	C(C[6]N[5a,6]N[6]C)(H)3	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a]){1|H<1>,2|C<3>}	109.9528	0.391	4	109.9528	0.153	4	109.5673	0.648	6	109.3650	0.358	23	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]H)(CH3)(H){1|C<4>,1|H<1>,5|C<3>}	C(C[6]N[5a,6]C[6]H)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<3>,4|H<1>}	111.0710	0.000	1	111.0710	0.000	1	110.8610	0.926	3	110.8610	0.926	3	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	110.7560	1.336	2	110.7560	1.786	2	110.8610	0.926	3	110.8610	0.926	3	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:1:1:1:	3:4:2:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H)	C(C[6]N[5a,6]C[5,6]H)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]N[5a,6]C[5,6]H)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.4220	0.107	3	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:1:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]N[5a,6]C[6]H)(H)3	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	111.2365	0.091	2	111.2365	0.008	2	111.2365	0.008	2	111.4220	0.107	3	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C(C[6]N[5a,6]C[5,6]H)(H)3	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(C[6]N[5a,6]C[5,6]H)(H)3	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.3820	0.000	1	111.3820	0.000	1	111.6035	0.098	2	111.6035	0.098	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[5a,6]-3:C[5,6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C(C[6]N[5a,6]C[5,6]H)(H)3	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C(C[6]N[5a,6]C[5,6]H)(H)3	N[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]CH)(C[5a]C[5a]C){1|O<2>,3|C<4>,3|H<1>}	111.8250	0.000	1	111.8250	0.000	1	111.6035	0.098	2	111.6035	0.098	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(COO)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(COO)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	110.7150	0.000	1	110.7150	0.000	1	110.8462	0.316	4	110.2930	1.641	6	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(COO)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(COO)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	111.2315	0.474	2	111.2315	0.225	2	110.8462	0.316	4	110.2930	1.641	6	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(COS)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CCHH)(H){1|Br<1>,1|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(COS)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	110.2070	0.000	1	110.2070	0.000	1	110.8462	0.316	4	110.2930	1.641	6	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(COO)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,4|C<3>}	C(C[6]N[5a,6]C[6]H)(COO)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.2930	1.641	6	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:3:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[5a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H)	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HO)(CC[5a]HH)(H){1|Br<1>,1|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(C[5a]C[5a]N[5a])(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	110.2930	1.641	6	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(CCHH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.1020	0.000	1	109.1020	0.000	1	111.2215	8.985	2	111.2215	8.985	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.3410	0.000	1	113.3410	0.000	1	111.2215	8.985	2	111.2215	8.985	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:4:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]CH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	110.8530	0.000	1	110.8530	0.000	1	110.8530	0.000	1	110.8530	0.000	1	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:2:	4:1:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH)	C(C[6]N[5a,6]C[6]O)(H)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]CH)(CH3)(OH){1|N<2>,4|C<3>}	C(C[6]N[5a,6]C[6]O)(H)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO){2|H<1>,5|C<3>}	109.2040	0.294	3	109.2040	0.086	3	109.3635	0.159	4	109.3635	0.159	4	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:2:	4:1:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH)	C(C[6]N[5a,6]C[6]O)(H)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CH3)(OH){1|N<2>,2|C<3>,3|C<4>}	C(C[6]N[5a,6]C[6]O)(H)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,5|H<1>}	109.8420	0.000	1	109.8420	0.000	1	109.3635	0.159	4	109.3635	0.159	4	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:2:	4:1:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:Cl-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH)	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CClHH)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]N[5a,6]C[6]O)(Cl)(H)2	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.5060	0.461	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:2:	4:1:1:1:	3:4:2:	N[5a,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH)	C(C[6]N[5a,6]C[6]O)(H)3	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(CH3)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]N[5a,6]C[6]O)(H)3	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.5060	0.461	2	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a,6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C(C[6]N[5a,6]C[6,6]C)(H)3	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]N[5a,6]C[6,6]C)(H)3	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	109.8963	1.525	4	109.8963	2.326	4	109.8963	2.326	4	109.8963	2.326	4	109.7434	3.075	70	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a]	3:4:2:4:	4:1:1:1:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C(C[6]N[5a]C[6]O[6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]N[5a]C[6]O[6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	111.5150	0.000	1	112.0615	0.597	2	112.0615	0.597	2	112.0615	0.597	2	112.0615	0.597	2	109.9230	3.134	77
466	490	813	0:SP3_SP2_SP3	C[6]	C	N[5a]	3:4:2:4:	4:1:1:1:	3:3:4:	N[5a]-3:C[6]-4:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3)	C(C[6]N[5a]C[6]O[6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]HO)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C(C[6]N[5a]C[6]O[6])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	112.6080	0.000	1	112.0615	0.597	2	112.0615	0.597	2	112.0615	0.597	2	112.0615	0.597	2	109.9230	3.134	77
466	490	813	0:SP3_SP3_SP3	C[3x6]	C	N[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,3|C<3>,4|C<4>}	109.5810	0.000	1	109.5810	0.000	1	110.7945	2.945	2	110.7945	2.945	2	111.4083	2.603	3	111.2859	6.339	9
466	490	813	0:SP3_SP3_SP3	C[3x6]	C	N[5a,6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	N[5a,6,6](C[3x6]C[5,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	112.0080	0.000	1	112.0080	0.000	1	110.7945	2.945	2	110.7945	2.945	2	111.4083	2.603	3	111.2859	6.339	9
466	490	813	0:SP3_SP3_SP3	C[3x6]	C	N[5a,6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	N[5a,6,6]-3:C[3,6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:N[5a,6,6]-3:C[5a]-3:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3)	C(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])(F)3	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[3,6,6]C[3,6,6]O[3]C)(C[6,6]C[6,6]H)(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[3x6]N[5a,6,6]C[3,6,6]C[6,6])(F)3	N[5a,6,6](C[3x6]C[3,6,6]C[6,6]C)(N[5a,6,6]C[3x6]C[5a])(C[5a]N[5a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	111.4083	2.603	3	111.2859	6.339	9
466	490	813	0:SP3_SP3_SP3	C[6]	C	N[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CCHH)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.6635	0.414	2	114.6635	0.171	2	112.7457	11.120	3	112.7457	11.120	3	111.2247	9.088	6	111.2859	6.339	9
466	490	813	0:SP3_SP3_SP3	C[6]	C	N[5a,6]	3:3:4:1:	4:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[6]N[5a,6]C[6]H)(CCHN)(H)2	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.9100	0.000	1	108.9100	0.000	1	112.7457	11.120	3	112.7457	11.120	3	111.2247	9.088	6	111.2859	6.339	9
466	490	813	0:SP3_SP3_SP3	C[6]	C	N[5a,6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5a,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H)	C(C[6]N[5a,6]C[6]H)(H)3	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]CO)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]N[5a,6]C[6]H)(H)3	N[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.2247	9.088	6	111.2859	6.339	9
466	490	813	0:SP3_SP3_SP3	C[6]	C	N[5a,6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C(C[6]N[5a,6]C[6,6]C)(H)3	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]N[5a,6]C[6,6]C)(H)3	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	108.8205	2.155	2	108.8205	4.642	2	108.8205	4.642	2	108.8205	4.642	2	111.2247	9.088	6	111.2859	6.339	9
466	490	818	0:SP3_SP2_SP3	C[3x6]	C	C[5,6,6]	3:3:4:4:	4:1:1:1:	4:3:4:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|O<1>,2|C<4>,2|N<3>,4|H<1>}	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|N<3>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	115.2610	0.000	1	115.2610	0.000	1	115.4745	0.091	2	115.4745	0.091	2	115.5696	15.025	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[3x6]	C	C[5,6,6]	3:3:4:4:	4:1:1:1:	4:3:4:	N[5a,6,6]-3:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH)	C[3x6](N[5a,6,6]N[5a,6,6]C[5a])(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C(C[3x6]N[5a,6,6]C[5,6,6]C[6,6])(H)3	C[5,6,6](C[3x6]N[5a,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]N[5]HH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	115.6880	0.000	1	115.6880	0.000	1	115.4745	0.091	2	115.4745	0.091	2	115.5696	15.025	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[3x6]	C	C[5,6,6]	3:4:3:4:	4:1:1:1:	4:4:2:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:N[5]-2:	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a])	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3){1|C<4>,4|C<3>,7|H<1>}	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(H)3	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	111.6445	0.104	2	111.6445	0.011	2	111.6445	0.011	2	111.6445	0.011	2	115.5696	15.025	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[3x6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6,6]-3:C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3)	C(C[3x6]C[5,6,6]3)(H)3	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C)	C[3x6](C[5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5]H)2(CH3){1|C<4>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C(C[3x6]C[5,6,6]3)(H)3	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C){2|H<1>,4|C<4>,5|C<3>}	121.3845	0.337	2	121.3845	0.114	2	121.3845	0.114	2	121.3845	0.114	2	115.5696	15.025	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[3x6]	C	C[5,6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3)	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CC)(CH3){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	113.6000	0.000	1	113.6000	0.000	1	113.7750	0.061	2	113.7750	0.061	2	115.5696	15.025	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[3x6]	C	C[5,6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[5,6,6]-3:C[5]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3)	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C(C[3x6]C[5,6,6]2C[6,6])(H)3	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5])(C[5]C[5]HH){1|C<3>,5|C<4>,5|H<1>}	113.9500	0.000	1	113.9500	0.000	1	113.7750	0.061	2	113.7750	0.061	2	115.5696	15.025	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:2:	C[5,6,6]-3:C[6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6,6]C[5,6,6]C[6]N[6])(H)3	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a])	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]N[6])(H)3	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[6,6]C[6]N[6]C)(N[5]C[5,6a]){3|C<4>,3|H<1>,4|C<3>}	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	110.7703	3.565	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6,6]	3:3:4:4:	4:1:1:1:	4:4:2:	C[5,6,6]-3:N[3x6]-3:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a])	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a]){2|C<4>,2|H<1>,3|C<3>}	110.9695	0.145	2	110.9695	0.021	2	110.9695	0.021	2	110.9695	0.021	2	110.7703	3.565	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6a]-3:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(C[6,6]C[5,6,6]C[6,6a]C[6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	110.7703	3.565	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3)	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C)	C[6,6](C[5,6,6]C[5,5,6]C[5,6])(C[6]C[6]HH)2(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]2)(H)3	C[5,6,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[6]O[5])(C[6,6]C[6]2C){1|C<3>,2|O<1>,4|H<1>,6|C<4>}	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	110.7703	3.565	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6,6]2C[6])(H)3	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[5,6,6]C[5,6]2C[6])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,7|C<4>,7|H<1>}	C(C[6,6]C[5,6,6]2C[6])(H)3	C[5,6,6](C[6,6]C[5,6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|O<2>,4|C<4>,7|H<1>}	110.4620	0.000	1	110.4620	0.000	1	110.4620	0.000	1	108.9077	1.820	3	110.7703	3.565	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	108.2220	0.000	1	108.1305	0.017	2	108.1305	0.017	2	108.9077	1.820	3	110.7703	3.565	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6,6]C[5,6]2)(C[6]C[6]HO)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,3|O<2>,4|H<1>}	108.0390	0.000	1	108.1305	0.017	2	108.1305	0.017	2	108.9077	1.820	3	110.7703	3.565	8	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:4:2:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]C)(C[6]N[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.3236	0.681	5	111.3236	0.464	5	111.6452	0.992	6	111.6452	0.992	6	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:4:2:	C[5,6]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|Cl<1>,2|C<3>,4|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	113.2530	0.000	1	113.2530	0.000	1	111.6452	0.992	6	111.6452	0.992	6	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:2:	C[5,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|H<1>,4|C<3>}	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	105.5740	0.000	1	105.5740	0.000	1	105.9158	0.190	5	105.9158	0.190	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,4|C<4>,4|H<1>}	106.0012	0.453	4	106.0012	0.205	4	105.9158	0.190	5	105.9158	0.190	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	104.7980	0.000	1	104.7980	0.000	1	105.9189	2.007	7	105.9189	2.007	7	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	105.3230	0.000	1	105.1310	0.074	2	105.9189	2.007	7	105.9189	2.007	7	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,3|C<4>,5|H<1>}	104.9390	0.000	1	105.1310	0.074	2	105.9189	2.007	7	105.9189	2.007	7	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|O<1>,3|C<4>,5|H<1>}	105.2900	0.841	2	106.0663	2.162	3	105.9189	2.007	7	105.9189	2.007	7	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	107.6190	0.000	1	106.0663	2.162	3	105.9189	2.007	7	105.9189	2.007	7	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.1730	0.000	1	108.1730	0.000	1	105.9189	2.007	7	105.9189	2.007	7	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H)	C[6,6](C[5,6]C[3,5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	105.5500	0.000	1	105.5500	0.000	1	105.5500	0.000	1	108.0778	3.208	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[6,6](C[5,6]C[5,6,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	108.0778	3.208	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	108.0778	3.208	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,5|C<4>,5|H<1>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H){3|C<4>,6|H<1>}	109.1810	0.310	2	109.1810	0.096	2	109.1810	0.096	2	108.0778	3.208	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[3x6]-4:C[5,6]-3:C[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|O<2>,4|H<1>,7|C<4>}	C(C[6,6]C[3x6]C[5,6]C[6])(H)3	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3)	C(C[6,6]C[5,6]C[6,6]2)(H)3	C[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H)	C[6,6](C[6,6]C[5,3x6]C[6]H)(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(CH3){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]2)(H)3	C[5,6](C[6,6]C[6,6]2C)(C[5,6]C[6]O[5])(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	104.2760	0.000	1	104.2760	0.000	1	104.2760	0.000	1	105.4315	2.670	2	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<2>,3|C<4>,6|H<1>}	106.5870	0.000	1	106.5870	0.000	1	106.5870	0.000	1	105.4315	2.670	2	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|O<2>,4|H<1>,7|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	106.9670	0.000	1	106.9670	0.000	1	106.6932	0.317	5	106.6932	0.317	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<1>,3|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	107.4570	0.000	1	106.6248	0.391	4	106.6932	0.317	5	106.6932	0.317	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	106.4920	0.352	2	106.6248	0.391	4	106.6932	0.317	5	106.6932	0.317	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3)	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]HO)(CH3){1|C<3>,5|H<1>,6|C<4>}	C(C[6,6]C[5,6]C[6,6]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	106.0580	0.000	1	106.6248	0.391	4	106.6932	0.317	5	106.6932	0.317	5	107.5941	6.142	32	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:2:4:1:	4:1:1:1:	4:3:4:	C[5,6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H)	C(C[6]C[5,6]O[6]H)(H)3	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CH3)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5,6]O[6]H)(H)3	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH){1|C<4>,1|H<1>,5|C<3>}	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6,6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O){5|C<3>}	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	112.8335	0.000	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[5,6]H)(NOO)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O){2|C<3>,2|H<1>}	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	112.8335	0.000	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[5,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(COO)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5,6]N[6]H)(COO)(H)2	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:3:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO)	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	109.6280	0.000	1	109.6280	0.000	1	110.1670	0.581	2	110.1670	0.581	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:3:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO)	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])2(CH3)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]N[6])(C[6]C[5,6]CC)(C[5]C[5]O){3|C<3>,4|H<1>}	110.7060	0.000	1	110.7060	0.000	1	110.1670	0.581	2	110.1670	0.581	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6]-3:C[5,6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])2(CCHH)(COO)	C(C[6]C[5,6]2C)(COO)(H)2	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])2(CCHH)(COO){1|N<3>,2|O<1>,4|C<3>}	C(C[6]C[5,6]2C)(COO)(H)2	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	111.9360	0.865	2	111.9360	0.749	2	111.9360	0.749	2	111.7513	0.477	3	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5,6]-3:C[6,6]-3:C-4:C-3:	C[6]-4:C-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO)	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(CCHH)(COO){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O){5|C<3>}	111.3820	0.000	1	111.3820	0.000	1	111.3820	0.000	1	111.7513	0.477	3	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2	C(C[6]C[5,6]N[6]C)(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]CC)(N[5]C[5])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]N[6]C)(H)3	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]CC)(N[5]C[5]){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	109.4860	1.082	2	109.4860	1.170	2	109.4860	1.170	2	109.4860	1.170	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5,6]N[6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:4:2:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]H)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(N[5]O[5])	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(N[5]O[5]){2|H<1>,3|C<3>}	110.6440	1.663	2	110.6440	2.766	2	110.6440	2.766	2	110.6440	2.766	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:4:3:	N[5,6]-3:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]N[5,6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H)	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5,6]N[5,6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	112.5530	0.546	2	112.5530	0.298	2	112.5530	0.298	2	112.5530	0.298	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:4:4:	C[6,6a]-3:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|O<1>}	109.9425	4.457	2	109.9425	19.864	2	109.9425	19.864	2	109.9425	19.864	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CCHH)2{1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CC)(C[5]O[5]O){1|C<3>,2|N<2>}	109.5615	1.617	2	109.5615	2.615	2	109.5615	2.615	2	109.5615	2.615	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	4:2:4:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|N<3>,2|C<4>,4|H<1>}	112.9640	0.000	1	112.9640	0.000	1	113.3724	0.601	7	113.3724	0.601	7	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,3|C<4>,3|H<1>}	112.8525	0.637	2	113.6442	0.971	4	113.3724	0.601	7	113.3724	0.601	7	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CH)(C[5]O[5]O){3|C<4>,4|H<1>}	114.4360	0.000	2	113.6442	0.971	4	113.3724	0.601	7	113.3724	0.601	7	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>}	113.0330	0.017	2	113.0330	0.000	2	113.3724	0.601	7	113.3724	0.601	7	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]O[6]H)(C[6]C[6]CH){4|C<4>,6|H<1>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6]H)(H)3	C[5,6](C[5,5]C[5]N[5]O[5])(C[5,6]C[5]C[6])(C[6]C[6]CH){1|O<1>,4|C<4>,6|H<1>}	117.1315	0.590	2	117.1315	0.349	2	117.1315	0.349	2	117.1315	0.349	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:3:4:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H)	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]CH)(H){1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CCHH)(H)	C[5,6](C[5,6]Se[5]C[6])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,4|H<1>}	114.1230	0.608	2	114.1230	0.370	2	114.1230	0.370	2	114.1230	0.370	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CCHO)(H)2	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6]CH)(C[5]C[5]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	113.9485	2.889	4	113.9485	8.347	4	113.9485	8.347	4	114.7525	9.391	6	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]C)(CCHH)(H){1|O<2>,3|H<1>,6|C<4>}	C(C[6]C[5,6]C[6]H)(CC[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	119.0210	0.000	1	119.0210	0.000	1	116.3605	14.157	2	114.7525	9.391	6	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	113.7000	0.000	1	113.7000	0.000	1	116.3605	14.157	2	114.7525	9.391	6	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CCHH)(CH3)(H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.9023	0.769	3	112.9023	0.591	3	112.9017	0.394	4	112.9017	0.394	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:4:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]HH)(CCCH)(H){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]H)(CH3)2(H)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.9000	0.000	1	112.9000	0.000	1	112.9017	0.394	4	112.9017	0.394	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:4:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	120.4950	0.000	2	120.4950	0.000	2	117.5373	12.968	4	117.5373	12.968	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:4:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	115.9780	0.000	1	114.5795	3.912	2	117.5373	12.968	4	117.5373	12.968	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:1:	4:4:4:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCCH)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6]H)(CC[5]HH)(CH3)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]O)(C[6]C[6]CH){1|O<1>,3|H<1>,5|C<4>}	113.1810	0.000	1	114.5795	3.912	2	117.5373	12.968	4	117.5373	12.968	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:2:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6]C[5]H)(C[6]C[6]CO){1|C<3>,3|H<1>,4|C<4>,4|O<2>}	112.9160	0.000	1	112.9160	0.000	1	114.8477	3.180	3	114.8477	3.180	3	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:2:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	115.1960	0.000	1	115.8135	0.763	2	114.8477	3.180	3	114.8477	3.180	3	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:2:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH)	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(OH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]O)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5]2H)(C[6]C[6]CO){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	116.4310	0.000	1	115.8135	0.763	2	114.8477	3.180	3	114.8477	3.180	3	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:3:	4:1:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CH3)(COO){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<2>,3|C<4>,3|H<1>}	111.3485	0.593	2	110.7408	1.316	4	110.7408	1.316	4	110.7408	1.316	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(S[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	110.1330	1.455	2	110.7408	1.316	4	110.7408	1.316	4	110.7408	1.316	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O){2|C<4>,5|H<1>}	108.8360	0.000	1	108.8360	0.000	1	110.1673	1.933	3	110.0164	0.781	7	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	110.8330	1.099	2	110.8330	1.207	2	110.1673	1.933	3	110.0164	0.781	7	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<2>,2|H<1>,3|C<4>}	109.5920	0.552	2	109.9032	0.234	4	109.9032	0.234	4	110.0164	0.781	7	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]CC)(N[5]C[5]H){1|N<3>,2|H<1>,3|C<4>}	110.2145	0.101	2	109.9032	0.234	4	109.9032	0.234	4	110.0164	0.781	7	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2{2|H<1>,3|C<4>,4|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	109.2375	0.336	2	109.2375	0.113	2	108.7125	0.410	4	108.7125	0.410	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	108.1060	0.000	1	108.1875	0.013	2	108.7125	0.410	4	108.7125	0.410	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	108.2690	0.000	1	108.1875	0.013	2	108.7125	0.410	4	108.7125	0.410	4	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC){2|C<3>,3|C<4>,4|H<1>}	109.1380	0.000	1	109.1380	0.000	1	111.7898	3.357	11	111.7898	3.357	11	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	112.0550	1.694	10	112.0550	2.870	10	111.7898	3.357	11	111.7898	3.357	11	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,2|C<4>,6|H<1>}	110.1130	0.000	1	110.1130	0.000	1	110.5559	0.828	9	110.5559	0.828	9	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	109.5690	1.073	2	109.5690	1.152	2	110.5559	0.828	9	110.5559	0.828	9	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	110.6128	0.485	4	110.9587	0.472	6	110.5559	0.828	9	110.5559	0.828	9	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	111.6505	0.465	2	110.9587	0.472	6	110.5559	0.828	9	110.5559	0.828	9	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:2:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[5,6]C[6]C)(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(OH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,2|C<4>,6|H<1>}	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:3:2:1:	3:4:3:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[5a]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(C[5]O[5]O){2|C<4>,5|H<1>}	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5])	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2{2|C<4>,4|C<3>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	109.5240	0.412	2	109.5240	0.169	2	109.5240	0.169	2	109.5240	0.169	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	111.4250	0.000	1	111.7100	0.162	2	111.7100	0.162	2	111.7100	0.162	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]O[5]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	111.9950	0.000	1	111.7100	0.162	2	111.7100	0.162	2	111.7100	0.162	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6]C[6]CC){2|C<3>,3|C<4>,4|H<1>}	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	109.8467	20.313	3	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	3:4:4:4:	4:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[5,6](C[5]C[6a]C[5]Pt)(N[5,6]C[5]C[6])(C[6]C[6]CC)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2{1|Pt<5>,1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[5,6](C[5]C[6a]C[5]Pt)(N[5,6]C[5]C[6])(C[6]C[6]CC){1|C<4>,3|C<3>,4|H<1>}	108.8715	5.909	2	108.8715	34.920	2	108.8715	34.920	2	109.8467	20.313	3	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C(C[6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C(C[6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]SiH){1|O<2>,2|C<4>,4|H<1>}	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	112.4560	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H)	C(C[6]C[5,6]C[6,6]H)(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6,6]H)(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:2:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC)	C(C[6]C[5,6]C[6,6]O)(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)(OC){3|H<1>,3|O<2>,4|C<4>}	C(C[6]C[5,6]C[6,6]O)(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CO)(C[5]C[5]H){1|O<2>,2|C<4>,4|H<1>}	110.4460	1.174	2	110.4460	1.378	2	110.4460	1.378	2	110.4460	1.378	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	109.9480	1.772	2	109.9480	3.140	2	109.9480	3.140	2	109.9480	3.140	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO)	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,3|O<2>,4|C<3>}	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]OO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	110.0190	4.364	2	110.0190	19.047	2	110.0190	19.047	2	110.0190	19.047	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[3x6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2	C(C[6]C[3x6]C[5,6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a])	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3x6]C[5,6]C)(H)3	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[3x6]CC)(N[5]C[5,6a]){2|C<3>,2|C<4>,3|H<1>}	110.0090	1.147	2	110.0090	1.315	2	110.0090	1.315	2	110.0090	1.315	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]2C)(H)3	C[5,6](C[5,6]C[5,6]2H)(C[6]C[5,6]CC)(C[5]C[5,6]H){1|B<4>,1|P<4>,3|C<3>,4|H<1>}	110.3385	0.306	2	110.3385	0.094	2	110.3385	0.094	2	110.2542	0.039	6	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]C[6,6]C)(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[5,6]C[6,6]C)(H)3	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	110.2120	0.165	4	110.2120	0.027	4	110.2120	0.027	4	110.2542	0.039	6	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5,6]	4:3:4:4:	4:2:1:1:	3:4:3:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	C(C[6]C[5,6]2C)(OH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]2C)(OH)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CC)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	107.5905	0.370	2	107.5905	0.137	2	107.5905	0.137	2	107.5905	0.137	2	111.5767	6.905	117	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5]	3:4:4:4:	4:3:1:1:	4:4:2:	C[5]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[5]-4:C[6]-4:N[5]-2:	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH)	C(C[6]C[5]C[6]2)(CCH)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]C[5])	C[6](C[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HO)(CCHH){1|O<2>,3|C<4>,5|H<1>}	C(C[6]C[5]C[6]2)(CCH)(H)2	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]C[5]){1|O<2>,3|C<4>,6|H<1>}	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	106.0140	0.000	1	108.4080	4.862	3	110.9133	10.346	168
466	490	818	0:SP3_SP2_SP3	C[6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-4:C[5]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3)	C(C[6]C[5]C[6]2)(H)3	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]CH)(C[5]C[5]2)(CH3){2|H<1>,2|O<2>,6|C<4>}	C(C[6]C[5]C[6]2)(H)3	C[5](C[5]C[5]HO)(C[6]C[6]2C)(C[5]C[5]C){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	109.6050	1.062	2	109.6050	1.128	2	109.6050	1.128	2	109.6050	1.128	2	108.4080	4.862	3	110.9133	10.346	168
466	490	830	0:SP3_SP-NON_SP3	C[6,6]	C	F	4:3:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6,6]-3:C-4:F-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F)	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	F(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]F)(C[6a]C[6a]2)(H)2	F(C[6,6]C[3x6]C[6,6]C)	103.6560	0.000	1	103.6560	0.000	1	103.6560	0.000	1	103.6560	0.000	1	103.6560	0.000	1	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	3:4:4:1:	3:4:2:1:	4:	C[6]-3:C[6]-4:C-4:F-1:	C[6a]-3:C[6]-4:N-2:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(NS)(H)	F(C[6]C[6]2C)	106.4000	0.000	1	106.4000	0.000	1	106.4000	0.000	1	106.4000	0.000	1	106.7113	0.688	10	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	3:4:4:1:	3:4:3:1:	4:	C[6]-3:C[6]-4:C-4:F-1:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(NHS)(H)	F(C[6]C[6]2C)	107.1550	0.000	1	107.1550	0.000	1	107.1550	0.000	1	107.1550	0.000	1	106.7113	0.688	10	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	4:3:4:1:	4:3:1:1:	4:	C[3x6]-4:C[6]-3:C-4:F-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F)	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	F(C[6]C[3x6]C[6]C)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]O)(CC[6a]HH)(F){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]F)(C[6a]C[6a]2)(H)2	F(C[6]C[3x6]C[6]C)	106.8740	0.000	1	106.8740	0.000	1	106.8740	0.000	1	106.8740	0.000	1	106.7113	0.688	10	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	4:4:4:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2F)(H)2	F(C[6]C[6]2C)	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	106.7113	0.688	10	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F)	C(C[6]C[6]2F)(Cl)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2F)(Cl)(H)2	F(C[6]C[6]2C)	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	106.2272	0.758	4	106.7113	0.688	10	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F)	C(C[6]C[6]2F)(H)3	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F){1|C<4>,4|H<1>}	C(C[6]C[6]2F)(H)3	F(C[6]C[6]2C)	106.2360	0.000	1	106.2360	0.000	1	105.9233	0.583	3	106.2272	0.758	4	106.7113	0.688	10	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	4:4:4:1:	4:1:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(F)	C(C[6]C[6]2F)(H)3	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(F){1|N<3>,4|H<1>}	C(C[6]C[6]2F)(H)3	F(C[6]C[6]2C)	105.7670	1.010	2	105.7670	1.020	2	105.9233	0.583	3	106.2272	0.758	4	106.7113	0.688	10	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(F)	C(C[6]C[6]2F)(CCHN)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(F){1|C<4>,4|H<1>}	C(C[6]C[6]2F)(CCHN)(H)2	F(C[6]C[6]2C)	107.1550	0.000	1	107.1550	0.000	1	106.7655	0.303	2	106.7655	0.303	2	106.7113	0.688	10	106.4335	1.468	11
466	490	830	0:SP3_SP-NON_SP3	C[6]	C	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(F)	C(C[6]C[6]2F)(CF3)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(F){1|C<4>,4|H<1>}	C(C[6]C[6]2F)(CF3)(H)2	F(C[6]C[6]2C)	106.3760	0.000	1	106.3760	0.000	1	106.7655	0.303	2	106.7655	0.303	2	106.7113	0.688	10	106.4335	1.468	11
466	490	846	0:SP3_SP2_SP3	C[6]	C	C[4,6]	3:4:4:1:	4:4:3:1:	4:3:4:	C[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	C[4,6](C[4,5,6]C[4,5]C[6]O[5])(C[4]C[4,5]C)(C[6]C[6]CH)	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]H)(CCCO)(CCH)(H)	C[4,6](C[4,5,6]C[4,5]C[6]O[5])(C[4]C[4,5]C)(C[6]C[6]CH){1|O<2>,2|C<4>,5|H<1>}	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1
466	490	849	0:SP3_SP3_SP3	C[3x6]	C	P[6,6]	4:4:2:4:	4:1:1:1:	4:4:4:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:P[6,6]-4:O-1:	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	P[6,6](C[3x6]C[6,6]O[6,6]C)2(P[6,6]C[3x6]2O)(O)	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|O<1>,2|O<2>,6|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	P[6,6](C[3x6]C[6,6]O[6,6]C)2(P[6,6]C[3x6]2O)(O){2|O<2>,4|H<1>,6|C<4>}	112.8380	1.273	2	112.8380	1.620	2	112.8380	1.620	2	112.8380	1.620	2	112.9695	1.085	4	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[3x6]	C	P[6,6]	4:4:2:4:	4:1:1:1:	4:4:4:4:	C[6,6]-4:P[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3)	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	P[6,6](C[3x6]C[6,6]O[6,6]C)2(CC[6a]HH)2	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C(C[3x6]C[6,6]O[6,6]P[6,6])(H)3	P[6,6](C[3x6]C[6,6]O[6,6]C)2(CC[6a]HH)2{2|C<4>,4|H<1>}	113.1010	1.252	2	113.1010	1.566	2	113.1010	1.566	2	113.1010	1.566	2	112.9695	1.085	4	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6,6]	C	P[3x6]	4:3:4:1:	4:3:2:1:	4:4:4:1:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	117.5385	0.003	2	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6,6]	C	P[3x6]	4:3:4:1:	4:3:3:2:	4:4:4:1:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	P[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)2(O){3|C<4>}	117.5760	0.000	1	117.5760	0.000	1	117.5760	0.000	1	117.5760	0.000	1	117.5385	0.003	2	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6,6]	C	P[6]	3:4:4:4:	4:4:1:1:	4:2:1:1:	N[6,6]-3:P[6]-4:P[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:O[6]-2:O-1:O-1:	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH)	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH){1|C<4>,2|P<4>}	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	P[6](C[6,6]N[6,6]P[6]C)(O[6]P[6])(O)2{1|C<4>,1|H<1>,1|O<2>,4|O<1>}	109.8473	0.254	4	109.8473	0.065	4	109.8473	0.065	4	109.8473	0.065	4	109.8473	0.065	4	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	3:4:4:1:	4:4:1:1:	3:4:3:1:	C[6,6a]-3:P[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H)	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]P[6]H)(CC[6a]HO)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	110.8620	0.000	1	110.8620	0.000	1	110.8620	0.000	1	110.8620	0.000	1	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:3:4:1:	4:1:1:1:	3:4:2:1:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]N[6]P[6]H)(H)3	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H){2|C<3>,3|C<4>}	C(C[6]N[6]P[6]H)(H)3	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,2|C<3>,5|H<1>}	112.0930	0.859	3	112.0930	0.738	3	112.0930	0.738	3	112.0930	0.738	3	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:3:4:1:	4:4:4:1:	3:4:2:1:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]P[6]H)(CH3)2(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]N[6]P[6]H)(CH3)2(H)	P[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	115.0160	0.000	1	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:4:3:4:	4:1:1:1:	4:2:2:1:	C[6]-4:P[6]-4:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3)	C(C[6]C[6]2P[6])(H)3	P[6](C[6]C[6]2C)(O[6]C[6])2(O)	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2P[6])(H)3	P[6](C[6]C[6]2C)(O[6]C[6])2(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	106.0370	0.000	1	106.0370	0.000	1	106.0370	0.000	1	106.0370	0.000	1	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:4:4:1:	4:1:1:1:	3:3:4:3:	P[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C(C[6]C[6]P[6]H)(H)3	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){8|C<3>}	C(C[6]C[6]P[6]H)(H)3	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C){1|B<4>,3|H<1>,4|C<3>,4|F<1>}	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	113.5290	0.000	1	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:4:4:1:	4:1:1:1:	4:2:2:1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H)	C(C[6]C[6]P[6]H)(H)3	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]P[6]H)(H)3	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){2|C<4>,3|H<1>}	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:4:4:1:	4:1:1:1:	4:3:3:4:	P[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C(C[6]C[6]P[6]H)(H)3	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){1|H<1>,1|O<2>,7|C<3>}	C(C[6]C[6]P[6]H)(H)3	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH){1|B<4>,2|H<1>,4|F<1>,6|C<3>}	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:4:4:1:	4:4:1:1:	3:3:4:2:	B[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-2:	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H)	C(C[6]B[6]P[6]H)(CH3)(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]CH)(N[6]N[6])	C[6](B[6]C[6a]2N[6])(P[6]C[6a]2N[6])(CCHH)(H){1|N<2>,9|C<3>}	C(C[6]B[6]P[6]H)(CH3)(H)2	P[6](C[6a]C[6a]2)2(C[6]B[6]CH)(N[6]N[6]){1|N<3>,4|F<1>,6|C<3>}	121.0490	0.000	1	121.0490	0.000	1	121.0490	0.000	1	121.0490	0.000	1	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H)	C(C[6]C[6]P[6]H)(CCHH)(H)2	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]P[6]H)(CCHH)(H)2	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){1|S<4>,2|C<4>,2|H<1>}	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	111.6709	15.570	15	112.0563	12.776	25
466	490	849	0:SP3_SP3_SP3	C[6]	C	P[6]	4:4:4:4:	4:1:1:1:	4:3:4:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	P[6]-4:C[6a]-3:C[6]-4:S-1:	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	P[6](P[6]C[6a]C[6]S)(C[6a]C[6a]2)(C[6]C[6]CC)(S)	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C(C[6]C[6]P[6]C)(H)3	P[6](P[6]C[6a]C[6]S)(C[6a]C[6a]2)(C[6]C[6]CC)(S){3|C<4>,4|C<3>,4|H<1>}	110.2505	4.503	4	110.2505	20.280	4	110.2505	20.280	4	110.2505	20.280	4	111.6709	15.570	15	112.0563	12.776	25
466	490	854	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:4:3:4:	4:1:1:1:	4:4:4:1:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.9357	0.154	3	109.9357	0.154	3	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:4:3:4:	4:1:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C(C[3x6]C[6,6]2N[6,6])(F)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	110.1960	0.000	1	110.1615	0.002	2	110.1615	0.002	2	109.9357	0.154	3	109.9357	0.154	3	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:4:3:4:	4:1:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C(C[3x6]C[6,6]2N[6,6])(F)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	110.1270	0.000	1	110.1615	0.002	2	110.1615	0.002	2	109.9357	0.154	3	109.9357	0.154	3	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[4x6]	C	N[4x6]	4:3:4:4:	4:1:1:1:	4:4:2:1:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H)	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	108.7605	0.323	2	108.7605	0.104	2	108.7605	0.104	2	108.7605	0.104	2	108.7605	0.104	2	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:1:1:	4:3:3:1:	N[3x6]-4:C[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:O-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CC[6]HO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:1:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	C(C[6,6]C[6,6]N[3x6]H)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|N<4>,6|H<1>}	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	110.5535	0.131	2	110.5535	0.017	2	110.5535	0.017	2	110.5535	0.017	2	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	112.1696	0.840	10	112.1696	0.706	10	112.3190	0.881	11	112.0772	0.512	41	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	113.8130	0.000	1	113.8130	0.000	1	112.3190	0.881	11	112.0772	0.512	41	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	111.8850	0.000	1	111.8850	0.000	1	111.9885	0.371	30	112.0772	0.512	41	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	111.9921	0.620	29	111.9921	0.384	29	111.9885	0.371	30	112.0772	0.512	41	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	113.8280	0.000	1	113.8280	0.000	1	113.7345	0.036	4	114.1724	0.947	14	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	113.7033	0.220	3	113.7033	0.048	3	113.7345	0.036	4	114.1724	0.947	14	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	113.7680	0.583	2	113.7858	0.354	4	113.7858	0.354	4	114.1724	0.947	14	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	113.8035	0.849	2	113.7858	0.354	4	113.7858	0.354	4	114.1724	0.947	14	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	114.2747	0.640	4	114.2747	0.410	4	114.7222	1.592	6	114.1724	0.947	14	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	115.6170	2.080	2	115.6170	4.328	2	114.7222	1.592	6	114.1724	0.947	14	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:4:4:1:	4:3:3:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	112.5822	1.873	60	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	109.6160	0.000	1	109.5070	0.024	2	109.5070	0.024	2	109.5070	0.024	2	109.5070	0.024	2	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	109.3980	0.000	1	109.5070	0.024	2	109.5070	0.024	2	109.5070	0.024	2	109.5070	0.024	2	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6,6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	111.5630	0.513	3	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<3>,4|C<4>,6|H<1>}	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	111.0250	0.000	1	111.1565	0.035	2	111.1565	0.035	2	111.1565	0.035	2	111.5630	0.513	3	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	C(C[6]C[6,6]N[6,6]H)(CH3)2(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	111.2880	0.000	1	111.1565	0.035	2	111.1565	0.035	2	111.1565	0.035	2	111.5630	0.513	3	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	109.5520	0.000	1	109.5520	0.000	1	109.3320	0.465	3	109.6626	0.497	5	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	109.2220	0.926	2	109.2220	0.858	2	109.3320	0.465	3	109.6626	0.497	5	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:1:1:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	110.1585	0.489	2	110.1585	0.239	2	110.1585	0.239	2	109.6626	0.497	5	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:1:1:	4:4:4:4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	111.9780	0.325	2	111.9780	0.106	2	111.9780	0.106	2	111.9780	0.106	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	112.5760	0.348	2	112.5760	0.121	2	112.5760	0.121	2	112.5760	0.121	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:1:	C[6,6a]-3:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	106.7620	4.518	2	106.7620	20.416	2	106.7620	20.416	2	106.7620	20.416	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-3:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]C)(N[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{3|C<3>}	106.9840	2.756	2	106.9840	7.597	2	106.9840	7.597	2	106.6765	4.691	4	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	106.3690	2.469	2	106.3690	6.097	2	106.3690	6.097	2	106.6765	4.691	4	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	C(C[6]C[5a]C[6]N[6])(C[6]C[6]2H)(H)2	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	107.8490	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]C[6]C)(CH3)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	113.4030	0.000	1	113.4030	0.000	1	113.4030	0.000	1	113.4030	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:1:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	111.0780	0.523	2	111.0780	0.274	2	111.0780	0.274	2	111.0780	0.274	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	3:4:4:1:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	108.9485	0.252	2	108.9485	0.064	2	108.9485	0.064	2	108.9485	0.064	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	111.3290	0.000	1	111.3290	0.000	1	111.1815	0.044	2	111.1815	0.044	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	111.0340	0.000	1	111.0340	0.000	1	111.1815	0.044	2	111.1815	0.044	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	3:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	106.5247	0.546	7	106.5247	0.298	7	106.5247	0.298	7	106.5247	0.298	7	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	3:4:4:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	110.4500	0.259	2	110.4500	0.067	2	110.4500	0.067	2	110.4500	0.067	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	108.3060	0.356	2	108.3060	0.127	2	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	108.5900	1.024	2	108.5900	1.048	2	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	108.7813	0.526	3	108.7813	0.277	3	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	108.4710	0.000	1	109.2815	1.409	8	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	110.8580	0.000	1	109.2815	1.409	8	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	109.1538	1.151	6	109.2815	1.409	8	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	108.8040	0.000	1	108.8040	0.000	1	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	109.4790	0.549	2	109.4790	0.301	2	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	108.1290	0.000	1	108.1290	0.000	1	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	108.4257	1.061	4	110.8311	31.875	58	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	110.4700	0.000	1	110.8311	31.875	58	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	110.3559	1.519	14	110.8311	31.875	58	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	111.3471	7.063	36	110.8311	31.875	58	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Co<4>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	110.0720	0.000	1	110.8311	31.875	58	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Zn<4>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	110.0260	0.000	1	110.8311	31.875	58	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	110.4510	0.000	1	110.8311	31.875	58	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	109.3508	0.514	10	109.4481	0.419	24	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	109.4919	0.799	12	109.4481	0.419	24	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	109.6715	0.121	2	109.4481	0.419	24	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	110.0500	0.000	1	110.0500	0.000	1	110.1498	18.884	102	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	110.1399	18.709	103	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:3:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CCH)(H){1|C<4>,4|H<1>}	110.2905	0.078	2	110.2905	0.006	2	110.2905	0.006	2	110.2905	0.006	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[3,6]N[6]H)(H)3	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H){1|H<1>,3|C<4>}	C(C[6]C[3,6]N[6]H)(H)3	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	110.9338	1.388	9	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	111.5225	1.033	2	111.5225	1.067	2	111.5225	1.067	2	110.9338	1.388	9	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	111.1310	0.000	1	111.1310	0.000	1	111.0290	1.896	5	110.9338	1.388	9	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	108.8120	0.000	1	108.8120	0.000	1	111.0290	1.896	5	110.9338	1.388	9	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	111.6220	0.000	1	111.6220	0.000	1	111.0290	1.896	5	110.9338	1.388	9	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	112.5480	0.000	1	112.5480	0.000	1	111.0290	1.896	5	110.9338	1.388	9	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	111.0320	0.000	1	111.0320	0.000	1	111.0290	1.896	5	110.9338	1.388	9	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	110.5240	0.000	1	110.5240	0.000	1	110.5240	0.000	1	110.9338	1.388	9	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	108.1840	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:2:1:1:	4:4:4:4:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	115.1600	0.000	1	115.1600	0.000	1	115.1600	0.000	1	115.1600	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	110.1995	2.043	2	110.1995	4.173	2	110.1995	4.173	2	109.9207	2.320	3	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	109.9207	2.320	3	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	109.6510	0.902	2	109.6510	0.814	2	109.6510	0.814	2	109.6510	0.814	2	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	111.3000	0.000	1	109.6570	2.795	3	109.6570	2.795	3	109.6570	2.795	3	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:3:4:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	108.8355	1.241	2	109.6570	2.795	3	109.6570	2.795	3	109.6570	2.795	3	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	111.9005	1.784	2	109.3155	4.723	6	109.1351	3.895	8	108.9498	3.345	10	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	108.0230	0.359	4	109.3155	4.723	6	109.1351	3.895	8	108.9498	3.345	10	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	107.3960	0.000	1	107.3960	0.000	1	109.1351	3.895	8	108.9498	3.345	10	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CHHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	109.7920	0.000	1	109.7920	0.000	1	109.1351	3.895	8	108.9498	3.345	10	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	C(C[6]C[6]N[6]H)(NH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	108.2085	1.211	2	108.2085	1.467	2	108.2085	1.467	2	108.9498	3.345	10	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[3,6]N[6]H)(CH3)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[3,6]N[6]H)(CH3)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	111.5170	3.156	3	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	112.3580	0.000	1	112.3580	0.000	1	112.5375	0.064	2	111.5170	3.156	3	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	112.7170	0.000	1	112.7170	0.000	1	112.5375	0.064	2	111.5170	3.156	3	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	3:4:4:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	110.1444	3.724	38	110.1444	13.870	38	110.1444	13.870	38	110.1444	13.870	38	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	C(C[6]C[6]2N[6])(H)3	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	C(C[6]C[6]2N[6])(H)3	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.1939	7.339	114	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	108.6475	2.979	8	108.2169	7.581	109	108.1911	7.404	113	108.1939	7.339	114	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	108.2080	2.694	12	108.2169	7.581	109	108.1911	7.404	113	108.1939	7.339	114	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	108.1718	2.859	14	108.2169	7.581	109	108.1911	7.404	113	108.1939	7.339	114	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2{1|C<3>,4|H<1>}	108.6312	3.245	18	108.2169	7.581	109	108.1911	7.404	113	108.1939	7.339	114	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	108.0386	2.622	57	108.2169	7.581	109	108.1911	7.404	113	108.1939	7.339	114	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	107.0495	2.259	2	107.0495	5.104	2	108.1911	7.404	113	108.1939	7.339	114	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	107.9255	1.603	2	107.9255	2.570	2	108.1911	7.404	113	108.1939	7.339	114	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OAl)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OAl)(H){1|C<4>,4|H<1>}	108.6215	3.819	2	108.6215	14.585	2	109.1084	8.797	62	109.1084	8.797	62	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OB)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	108.8152	2.256	12	108.8152	5.089	12	109.1084	8.797	62	109.1084	8.797	62	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC)(H){1|C<4>,4|H<1>}	111.3992	4.346	4	111.3992	18.886	4	109.1084	8.797	62	109.1084	8.797	62	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OFe)(H){1|C<4>,4|H<1>}	108.2901	2.831	8	108.2901	8.014	8	109.1084	8.797	62	109.1084	8.797	62	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	108.3628	3.801	4	108.3628	14.445	4	109.1084	8.797	62	109.1084	8.797	62	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OIr)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OIr)(H){1|C<4>,4|H<1>}	109.8748	2.642	4	109.8748	6.982	4	109.1084	8.797	62	109.1084	8.797	62	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(ONi)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(ONi)(H){1|C<4>,4|H<1>}	108.7335	2.708	24	108.7335	7.333	24	109.1084	8.797	62	109.1084	8.797	62	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OP)(H){1|C<4>,4|H<1>}	111.8067	4.299	4	111.8067	18.482	4	109.1084	8.797	62	109.1084	8.797	62	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:3:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCC)(H){1|C<4>,4|H<1>}	110.1339	3.751	16	110.1339	14.068	16	110.1339	14.068	16	110.1339	14.068	16	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	108.8180	0.000	1	108.8180	0.000	1	109.5001	7.620	53	109.5001	7.620	53	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	109.5702	2.756	24	109.5702	7.598	24	109.5001	7.620	53	109.5001	7.620	53	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CC[5]HH)(H){1|C<4>,4|H<1>}	109.6478	2.792	4	109.6478	7.795	4	109.5001	7.620	53	109.5001	7.620	53	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CH3)(H){1|C<4>,4|H<1>}	109.4943	2.659	12	109.4943	7.070	12	109.5001	7.620	53	109.5001	7.620	53	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CSi[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CSi[5]HH)(H){1|C<4>,4|H<1>}	109.3735	3.296	12	109.3735	10.862	12	109.5001	7.620	53	109.5001	7.620	53	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:5:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:Si-5:H-1:	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(SiC[5]3Fe)(H)	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(SiC[5]3Fe)(H){1|C<4>,4|H<1>}	109.1688	2.800	4	109.1688	7.839	4	109.1688	7.839	4	109.1688	7.839	4	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	C(C[6]C[6]N[6]C)(NCuC)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(NCuC)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	105.8480	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(CCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]C)(CCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	854	0:SP3_SP3_SP3	C[6]	C	N[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	C(C[6]C[6]N[6]C)(NCuCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(NCuCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	109.3642	11.058	464	109.7396	10.871	534
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	2:3:3:4:	4:1:1:1:	4:3:4:	S[6,6]-2:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3)	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	C[3x6](S[6,6]C[5,6,6])(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:3:2:4:	4:1:1:1:	4:3:4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3)	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CH3){1|O<1>,2|C<4>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	114.1946	0.322	5	114.1946	0.104	5	114.1946	0.104	5	114.1946	0.104	5	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:3:2:4:	4:2:1:1:	4:3:4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CHHO){1|C<3>,1|C<4>,1|O<1>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(OH)(H)2	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:3:2:4:	4:3:2:1:	4:3:1:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:C[5a]-3:O-2:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(S[6,6]S[6,6])(CC[5a]HO){1|O<1>,2|C<4>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[5a]C[5a,6a]C[5a])(OH)(H)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:3:2:4:	4:3:2:1:	4:3:4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:C[6a]-3:O-2:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO)	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	C[3x6](C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CC[6a]HO){1|O<1>,2|C<4>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(C[6a]C[6a]2)(OH)(H)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	111.4270	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:3:2:4:	4:4:4:1:	4:3:4:	C[6,6]-3:N[6,6]-3:S[6,6]-2:C-4:	C[3x6]-4:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH)	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(S[6,6]S[6,6])(CCCH){1|C<4>,1|H<1>,1|O<1>}	C(C[3x6]C[6,6]N[6,6]S[6,6])(CH3)2(H)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	112.6870	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(CH3){2|C<3>,3|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:4:3:4:	4:3:1:1:	3:4:4:	C[6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:C[5a]-3:H-1:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH)	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(CC[5a]HH){1|O<1>,2|C<4>,2|H<1>}	C(C[3x6]C[6,6]2N[6,6])(C[5a]C[5a]2)(H)2	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	113.6160	0.000	1	113.6160	0.000	1	113.6160	0.000	1	113.6160	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:2:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-2:C[6a]-3:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	113.1410	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]B)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	112.6359	0.348	8	112.6359	0.121	8	112.5293	0.208	9	112.5293	0.208	9	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]Se)(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	111.6770	0.000	1	111.6770	0.000	1	112.5293	0.208	9	112.5293	0.208	9	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	112.2120	0.000	1	112.2120	0.000	1	112.2120	0.000	1	112.2120	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,1|C<4>,4|H<1>}	110.6845	0.316	2	110.6046	0.099	8	110.6046	0.099	8	110.6046	0.099	8	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,3|H<1>}	110.5780	0.340	6	110.6046	0.099	8	110.6046	0.099	8	110.6046	0.099	8	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C(C[3x6]C[3x6]N[6,6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C(C[3x6]C[3x6]N[6,6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	107.3590	0.000	1	107.3590	0.000	1	107.3590	0.000	1	107.3590	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:2:1:1:	4:2:3:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO)	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,3|H<1>}	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH)	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH){1|C<4>,2|H<1>,2|O<1>}	C(C[3x6]C[6,6]N[6,6]2)(CH3)(H)2	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,2|C<3>,3|H<1>}	111.1707	0.695	4	111.1707	0.484	4	111.1707	0.484	4	111.1707	0.484	4	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[4x6]-4:N[6,6]-3:C[6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3)	C(C[3x6]C[4x6]N[6,6]C[6])(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C(C[3x6]C[4x6]N[6,6]C[6])(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO){1|C<4>,3|C<3>,5|H<1>}	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	111.2400	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){3|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|C<4>,8|H<1>}	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	111.8787	2.697	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[3x6]	C	N[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[4x6]-4:C[3x6]-4:N[6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:O-1:	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3)	C(C[3x6]C[3x6]C[4x6]N[6])(H)3	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O)	C[3x6](C[4x6]C[6,6a]C[6,6]2)(C[3x6]C[6,6]2H)(N[6]C[6]O)(CH3){2|C<3>,4|C<4>,8|H<1>}	C(C[3x6]C[3x6]C[4x6]N[6])(H)3	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O){1|H<1>,2|C<3>,4|C<4>}	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	106.7020	0.000	1	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:2:4:	4:1:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3)	C(C[6,6]C[5a,6]N[6,6]O[6])(H)3	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5a,6]N[6,6]O[6])(H)3	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C(C[6,6]C[5a,6]C[6,6a]N[6,6])(H)3	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C(C[6,6]C[5a,6]C[6,6a]N[6,6])(H)3	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	C(C[6,6]C[6,6a]N[6,6]C[6])(F)3	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C(C[6,6]C[6,6a]N[6,6]C[6])(F)3	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.9510	0.000	1	109.9510	0.000	1	110.0207	0.404	3	110.0207	0.404	3	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	109.4230	0.000	1	109.4230	0.000	1	110.0207	0.404	3	110.0207	0.404	3	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	110.6880	0.000	1	110.6880	0.000	1	110.0207	0.404	3	110.0207	0.404	3	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C(C[6,6]C[5,6]N[6,6]C[6])(CCHH)(H)2	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.3670	1.693	4	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.2790	0.000	1	108.5900	0.949	2	109.4167	2.525	3	109.3670	1.693	4	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	107.9010	0.000	1	108.5900	0.949	2	109.4167	2.525	3	109.3670	1.693	4	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CC[6a]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.0700	0.000	1	111.0700	0.000	1	109.4167	2.525	3	109.3670	1.693	4	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:4:2:4:	4:1:1:1:	3:4:3:	N[6,6]-3:C[6]-4:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3)	C(C[6,6]N[6,6]C[6]O[6])(H)3	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6,6]N[6,6]C[6]O[6])(H)3	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:4:4:1:	4:4:1:1:	4:4:3:	N[6,6]-3:C[3x6]-4:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H)	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H){2|H<1>,3|C<3>,3|C<4>}	C(C[6,6]C[3x6]N[6,6]H)(CH3)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6,6]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[6,6]C[6])(H)3	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6,6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H)	C(C[6,6]C[3x6]N[6,6]H)(H)3	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(H)3	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	111.8180	0.000	1	111.8180	0.000	1	111.8180	0.000	1	111.8180	0.000	1	109.7261	1.199	14	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6,6]C[5,6,6]C[6]N[6])(H)3	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO)	C[6,6](C[5,6,6]C[5,6,6]N[5])(C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[6]N[6])(H)3	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.8860	0.000	1	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	108.0330	0.000	1	108.0330	0.000	1	109.4781	0.480	7	109.4781	0.480	7	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	109.7770	0.000	1	109.7770	0.000	1	109.4781	0.480	7	109.4781	0.480	7	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	109.8250	0.000	1	109.9010	0.005	3	109.4781	0.480	7	109.4781	0.480	7	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	109.9110	0.000	1	109.9010	0.005	3	109.4781	0.480	7	109.4781	0.480	7	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	109.9670	0.000	1	109.9010	0.005	3	109.4781	0.480	7	109.4781	0.480	7	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	109.6910	0.000	1	109.4170	0.150	2	109.4781	0.480	7	109.4781	0.480	7	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	109.1430	0.000	1	109.4170	0.150	2	109.4781	0.480	7	109.4781	0.480	7	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:3:4:	C[6,6]-4:O[6]-2:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH)	C[6,6](C[6,6]C[6,6]CH)(O[6]C[6,6a])(N[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>,2|H<1>}	112.7240	0.000	1	112.7240	0.000	1	112.7240	0.000	1	112.7240	0.000	1	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:2:4:	4:1:1:1:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	110.9095	0.179	2	110.9095	0.032	2	110.9367	0.018	3	110.9367	0.018	3	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:2:4:	4:1:1:1:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CH3){1|H<1>,4|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	110.9910	0.000	1	110.9910	0.000	1	110.9367	0.018	3	110.9367	0.018	3	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:2:4:	4:3:1:1:	3:4:1:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH)	C(C[6,6]C[6,6]N[6]O[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(CCHH){6|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	114.0382	1.056	6	114.0382	1.115	6	114.0382	1.115	6	114.0382	1.115	6	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3)	C(C[6,6]C[6,6]N[6]2)(H)3	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]N[6]2)(H)3	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	108.1125	0.202	2	108.1125	0.041	2	107.8889	0.141	14	107.8889	0.141	14	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3)	C(C[6,6]C[6,6]N[6]2)(H)3	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	C(C[6,6]C[6,6]N[6]2)(H)3	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	107.8516	0.390	12	107.8516	0.152	12	107.8889	0.141	14	107.8889	0.141	14	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	108.4533	0.480	3	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	107.8900	0.000	1	108.0665	0.062	2	108.0665	0.062	2	108.4533	0.480	3	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>,2|O<2>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	108.2430	0.000	1	108.0665	0.062	2	108.0665	0.062	2	108.4533	0.480	3	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:4:3:4:	4:1:1:1:	3:4:4:	C[6]-4:C[6,6]-4:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(N[6]C[6,6a]C)(CH3){2|O<1>,6|C<3>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3){3|H<1>,6|C<3>}	109.5690	0.000	2	109.5690	0.000	2	109.5690	0.000	2	109.5690	0.000	2	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6,6]	C	N[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|N<3>,3|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]N)(H){3|C<4>,4|H<1>}	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	109.6611	5.162	39	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:3:4:1:	4:1:1:1:	4:3:4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:3:4:1:	4:2:1:1:	4:4:3:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:3:4:1:	4:4:1:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	112.3170	0.000	1	112.3170	0.000	1	112.3170	0.000	1	112.3170	0.000	1	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6]C[5a,6]N[6,6]H)(CCCO)(H)2	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	108.2580	0.000	1	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6,6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:2:1:1:	4:3:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OC)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]N[6,6]C[6]H)(OC)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	110.0478	10.769	6	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.6197	5.037	3	110.6197	25.370	3	110.2542	13.142	5	110.0478	10.769	6	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	110.3490	0.000	1	110.3490	0.000	1	110.2542	13.142	5	110.0478	10.769	6	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:2:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OC)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H){1|S<1>,2|H<1>,4|C<4>}	C(C[6]N[6,6]C[6]H)(OC)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S){2|C<4>,8|H<1>}	109.0630	0.000	1	109.0630	0.000	1	110.2542	13.142	5	110.0478	10.769	6	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,2|C<4>,7|H<1>}	111.3250	0.000	1	110.6595	0.886	2	110.6595	0.886	2	110.6595	0.886	2	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:3:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6]N[6,6]C[6]H)(CC[6a]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){2|C<4>,8|H<1>}	109.9940	0.000	1	110.6595	0.886	2	110.6595	0.886	2	110.6595	0.886	2	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:2:	4:1:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C(C[6]N[6,6]C[6]O)(H)3	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	107.8100	0.000	1	107.8100	0.000	1	107.5910	0.072	3	107.5910	0.072	3	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:2:	4:1:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C(C[6]N[6,6]C[6]O)(H)3	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	107.6710	0.000	1	107.4815	0.072	2	107.5910	0.072	3	107.5910	0.072	3	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6,6]	3:4:4:2:	4:1:1:1:	3:4:3:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	C(C[6]N[6,6]C[6]O)(H)3	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]N[6,6]C[6]O)(H)3	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.2920	0.000	1	107.4815	0.072	2	107.5910	0.072	3	107.5910	0.072	3	109.8194	5.391	18	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:1:	4:1:1:1:	3:4:1:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>}	C(C[6]N[6]O[6]H)(H)3	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H){2|C<3>}	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	2:3:4:4:	4:1:1:1:	3:4:1:	N[6]-2:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H){1|C<3>,1|N<2>}	108.1185	1.460	2	108.1185	2.132	2	108.1185	2.132	2	108.1185	2.132	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:1:1:1:	4:2:1:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H)	C(C[6]N[6]2H)(H)3	N[6](C[6]N[6]CH)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H){1|C<3>}	C(C[6]N[6]2H)(H)3	N[6](C[6]N[6]CH)(N[6]C[6])(H){1|C<3>,1|N<2>}	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:1:1:1:	4:2:3:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	C(C[6]N[6]2H)(H)3	N[6](C[6]N[6]CH)(N[6]C[6])(CCO)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	C(C[6]N[6]2H)(H)3	N[6](C[6]N[6]CH)(N[6]C[6])(CCO){1|C<3>,1|N<2>}	113.3970	0.587	2	113.3970	0.344	2	113.3970	0.344	2	113.3970	0.344	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:3:1:1:	3:3:4:	N[6]-3:S[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H)	C(C[6]N[6]S[6]H)(COO)(H)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H){1|O<1>,4|C<3>}	C(C[6]N[6]S[6]H)(COO)(H)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH){2|H<1>,4|C<3>}	112.6420	0.000	1	112.6420	0.000	1	112.6420	0.000	1	112.6420	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:1:	4:3:1:1:	3:4:4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H)	C(C[6]N[6]O[6]H)(CCO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]N[6]O[6]H)(CCO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	109.6850	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:3:	4:1:1:1:	3:4:3:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	C(C[6]N[6]2C)(F)3	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	109.7130	0.000	1	109.7690	0.006	2	109.7690	0.006	2	109.7690	0.006	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:3:	4:1:1:1:	3:4:3:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	C(C[6]N[6]2C)(F)3	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	109.8250	0.000	1	109.7690	0.006	2	109.7690	0.006	2	109.7690	0.006	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:3:	4:1:1:1:	4:3:4:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[3,6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C(C[6]N[6]2C)(F)3	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2{1|O<1>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){2|H<1>,4|C<3>}	110.1125	1.020	2	110.1125	1.041	2	110.1125	1.041	2	110.1125	1.041	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2	C(C[6]N[6]2C)(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|N<3>,2|C<3>}	109.4142	1.718	4	109.4142	2.952	4	109.4142	2.952	4	108.7881	1.442	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<3>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)(H){1|N<2>,3|C<3>}	108.0315	0.012	2	108.0315	0.000	2	108.5338	1.431	6	108.7881	1.442	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]CC)(H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<2>,2|N<3>}	C(C[6]N[6]2C)(H)3	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]CC)(H){1|N<2>,2|C<3>}	108.7850	1.460	4	108.7850	2.133	4	108.5338	1.431	6	108.7881	1.442	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:1:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	C(C[6]N[6]O[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	108.5433	0.422	4	108.5433	0.178	4	108.5433	0.178	4	108.7881	1.442	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	4:3:1:	N[6]-3:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2	C(C[6]N[6]S[6]C)(H)3	N[6](C[6]S[6]CC)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2{1|N<2>,1|N<3>,1|S<1>}	C(C[6]N[6]S[6]C)(H)3	N[6](C[6]S[6]CC)(C[6]N[6]S)(H){1|C<3>}	109.7632	1.219	4	109.7632	1.486	4	109.7632	1.486	4	109.7632	1.486	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	4:3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2{1|Ta<12>,1|C<4>,1|C<5>,1|H<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|Ta<12>,1|C<4>,1|N<3>}	108.9225	0.773	2	108.9225	0.597	2	108.9225	0.597	2	108.9225	0.597	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	4:4:3:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]N[6]O[6]C)(H)3	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO){1|C<4>,1|H<1>,1|O<2>}	111.8570	1.462	2	111.8570	2.138	2	111.8570	2.138	2	111.8570	2.138	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:2:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C(C[6]C[6a]N[6]O[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C(C[6]C[6a]N[6]O[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:N[6]-3:O-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	C(C[6]C[6,6a]N[6]O)(H)3	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(H)3	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6a]N[6]O[6])(H)3	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]O[6])(H)3	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	115.2430	0.000	1	115.2430	0.000	1	115.2430	0.000	1	115.2430	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:2:4:	4:4:1:1:	4:3:3:	N[6]-3:C[6]-3:O[6]-2:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH)	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]2)(O[6]C[6])(CCHH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]O[6])(CC[6a]HS)(H)2	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|S<2>,6|C<3>}	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C(C[6]N[5,6]C[6a]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	C(C[6]N[5,6]C[6a]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	108.3552	1.298	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C(C[6]N[5a,6]C[6a]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<2>,6|C<3>}	C(C[6]N[5a,6]C[6a]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	108.3552	1.298	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C(C[6]N[5a,6]C[6a]N[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C(C[6]N[5a,6]C[6a]N[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	108.3552	1.298	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	107.6435	0.411	2	107.6435	0.169	2	107.6435	0.169	2	108.3552	1.298	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C(C[6]C[6a]N[6]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	110.2050	0.000	1	110.2050	0.000	1	110.2050	0.000	1	108.3552	1.298	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C(C[6]C[6,6a]C[6a]N[6])(F)3	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(F)3	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	104.8300	0.000	1	104.8300	0.000	1	104.8300	0.000	1	107.1420	2.432	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C(C[6]C[6a]N[6]2)(H)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]2)(H)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	107.9127	0.290	3	107.9127	0.084	3	107.9127	0.084	3	107.1420	2.432	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	108.9317	0.769	3	108.9317	0.592	3	108.9317	0.592	3	108.9317	0.592	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C(C[6]C[6a]N[6]2)(F)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6a]N[6]2)(F)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	106.3080	1.075	2	106.3080	1.155	2	106.3080	1.155	2	106.3080	1.155	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:3:4:	4:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,6|C<3>}	C(C[6]C[6a]C[6]N[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<2>,6|C<3>}	105.2110	0.000	1	105.2110	0.000	1	105.2110	0.000	1	105.2110	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	109.1055	0.222	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H){2|C<3>,2|O<1>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	108.7720	0.000	1	108.7720	0.000	1	108.7720	0.000	1	109.1055	0.222	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.9050	0.000	1	112.2620	0.569	5	112.2620	0.569	5	112.2620	0.569	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.6780	0.646	3	112.2620	0.569	5	112.2620	0.569	5	112.2620	0.569	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	111.3710	0.000	1	112.2620	0.569	5	112.2620	0.569	5	112.2620	0.569	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	C(C[5]C[5,6a]C[5])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.4444	0.931	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.0210	0.120	2	112.0210	0.014	2	112.3280	1.151	4	112.4444	0.931	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.8720	0.000	1	113.8720	0.000	1	112.3280	1.151	4	112.4444	0.931	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	111.3980	0.000	1	111.3980	0.000	1	112.3280	1.151	4	112.4444	0.931	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:2:1:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	111.2800	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:3:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:4:1:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:F-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){3|C<3>}	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	111.0170	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	108.8350	0.000	1	108.8350	0.000	1	109.4833	0.317	3	109.9765	3.299	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.8430	0.000	1	109.8430	0.000	1	109.4833	0.317	3	109.9765	3.299	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	109.7720	0.000	1	109.7720	0.000	1	109.4833	0.317	3	109.9765	3.299	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H)	C(C[6]N[6]2H)(Cl)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(Cl)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	109.9765	3.299	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	C(C[6]N[6]2H)(Cl)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(Cl)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	109.9765	3.299	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	C(C[6]N[6]2H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]N[6]2H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	109.9765	3.299	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.1735	0.088	2	114.1735	0.008	2	113.9010	0.252	4	112.0261	5.691	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	114.1030	0.000	1	113.6285	0.450	2	113.9010	0.252	4	112.0261	5.691	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	113.1540	0.000	1	113.6285	0.450	2	113.9010	0.252	4	112.0261	5.691	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<3>}	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	112.0261	5.691	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:I-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H)	C(C[6]C[6]N[6]H)(H)2(I)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H){3|C<3>}	C(C[6]C[6]N[6]H)(H)2(I)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	112.0261	5.691	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	C(C[6]N[6]2H)(H)3	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]N[6]2H)(H)3	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH){2|C<3>,2|C<4>,5|H<1>}	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	112.0261	5.691	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:2:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<2>,1|C<3>}	110.1930	0.000	1	110.1930	0.000	1	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	111.2390	0.000	1	111.2390	0.000	1	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	109.7315	0.036	2	109.7057	0.003	3	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){3|C<3>}	109.6540	0.000	1	109.7057	0.003	3	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	109.5050	0.000	1	110.4877	1.433	6	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.8880	1.266	3	110.4877	1.433	6	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	109.2630	0.000	1	110.4877	1.433	6	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.4940	0.000	1	110.4877	1.433	6	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.7030	0.000	1	110.7030	0.000	1	110.3482	0.861	12	110.3482	0.861	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	110.9353	1.287	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.9353	1.287	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO){1|C<3>,3|H<1>}	112.0960	0.000	1	112.0960	0.000	1	112.0960	0.000	1	110.9353	1.287	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(Cl)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.5433	0.352	3	111.5433	0.124	3	111.5433	0.124	3	112.2836	1.093	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	113.3070	0.000	1	113.3940	0.015	2	113.3940	0.015	2	112.2836	1.093	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	113.4810	0.000	1	113.3940	0.015	2	113.3940	0.015	2	112.2836	1.093	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:P[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO){2|C<3>}	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|N<3>}	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	110.4475	1.194	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H)	C(C[6]N[6]2H)(SC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(SC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	111.2200	0.000	1	111.2200	0.000	1	111.2200	0.000	1	110.4475	1.194	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.8280	0.000	1	110.5660	1.089	2	110.5660	1.089	2	110.5660	1.089	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	111.3040	0.000	1	110.5660	1.089	2	110.5660	1.089	2	110.5660	1.089	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	110.9045	2.105	2	110.9045	4.431	2	110.9045	4.431	2	111.5053	3.299	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.7070	0.000	1	112.7070	0.000	1	112.7070	0.000	1	111.5053	3.299	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	111.2975	0.001	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(OC[6a])(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	111.2975	0.001	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	111.0152	0.912	18	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.5500	0.236	3	112.5500	0.056	3	111.0079	0.968	17	111.0152	0.912	18	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.6223	0.779	11	110.6223	0.607	11	111.0079	0.968	17	111.0152	0.912	18	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	110.8797	0.491	3	110.8797	0.241	3	111.0079	0.968	17	111.0152	0.912	18	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5,6]N[6]H)(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	111.2169	0.736	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	111.2169	0.736	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC){1|H<1>,4|C<3>}	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	111.2169	0.736	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	111.0070	0.172	4	111.0070	0.030	4	111.0070	0.030	4	111.2169	0.736	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]N[6]H)(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO){1|C<4>,1|H<1>,3|C<3>}	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	111.2520	0.000	1	111.2520	0.000	1	111.2520	0.000	1	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[4]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CC[4]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[5a]C[5a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|N<3>,1|O<1>,2|C<4>}	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.3241	0.556	8	112.3532	0.328	10	112.1328	0.295	23	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	112.4695	0.868	2	112.3532	0.328	10	112.1328	0.295	23	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.9136	0.417	10	111.9632	0.223	13	112.1328	0.295	23	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	112.1287	0.707	3	111.9632	0.223	13	112.1328	0.295	23	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.0030	0.000	1	113.0030	0.000	1	113.0030	0.000	1	111.9605	1.071	28	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.6650	0.188	2	112.6650	0.035	2	111.5040	2.635	5	111.4059	1.705	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CNO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CNO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.0020	0.000	1	110.0020	0.000	1	111.5040	2.635	5	111.4059	1.705	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.7090	0.000	1	112.7090	0.000	1	111.5040	2.635	5	111.4059	1.705	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CNO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CNO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.4790	0.000	1	109.4790	0.000	1	111.5040	2.635	5	111.4059	1.705	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H)	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[5]C[5]N[5])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.7655	0.371	2	110.7655	0.138	2	110.7655	0.138	2	111.4059	1.705	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.9235	0.503	2	110.9235	0.253	2	111.6693	1.795	3	111.4059	1.705	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	113.1610	0.000	1	113.1610	0.000	1	111.6693	1.795	3	111.4059	1.705	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	108.6420	0.000	1	108.6420	0.000	1	109.1570	0.530	2	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.6720	0.000	1	109.6720	0.000	1	109.1570	0.530	2	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	109.0670	0.000	1	109.0670	0.000	1	109.5220	1.881	6	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	111.9540	0.000	1	111.9540	0.000	1	109.5220	1.881	6	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	108.8445	1.459	2	108.8445	2.128	2	109.5220	1.881	6	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	109.2110	0.215	2	109.2110	0.046	2	109.5220	1.881	6	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO){1|O<1>,4|C<3>}	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	110.1603	2.111	12	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:F-1:F-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.8850	0.000	1	112.8850	0.000	1	112.8850	0.000	1	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO){1|O<1>,2|C<3>}	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[5a]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[5a]C[5a]N[5a])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	108.4650	0.000	1	108.4650	0.000	1	108.4650	0.000	1	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	111.5660	0.115	4	111.5660	0.013	4	112.2326	1.242	19	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.7450	0.000	1	112.7450	0.000	1	112.2326	1.242	19	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	112.7380	0.000	1	112.2414	1.343	13	112.2326	1.242	19	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.2120	0.461	2	112.2414	1.343	13	112.2326	1.242	19	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.4958	0.977	9	112.2414	1.343	13	112.2326	1.242	19	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	109.5140	0.000	1	112.2414	1.343	13	112.2326	1.242	19	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH){1|C<4>,1|N<3>,1|O<1>}	114.2730	0.000	1	114.2730	0.000	1	112.2326	1.242	19	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	112.6180	0.000	1	112.6180	0.000	1	112.6180	0.000	1	111.8539	2.347	24	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:S[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	111.4270	0.000	1	111.4270	0.000	1	111.1035	0.209	2	111.1035	0.209	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:S[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	110.7800	0.000	1	110.7800	0.000	1	111.1035	0.209	2	111.1035	0.209	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO){1|Br<1>,1|C<4>,4|C<3>}	109.9780	0.000	1	109.9780	0.000	1	109.9780	0.000	1	111.4246	0.630	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCC)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCC)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	111.4246	0.630	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	Si[6]-4:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)2	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	111.4246	0.630	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	111.8095	0.180	2	111.8095	0.033	2	111.8095	0.033	2	111.4246	0.630	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|O<1>,1|O<2>}	111.6310	0.000	1	111.6310	0.000	1	111.8115	0.333	4	111.4246	0.630	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|N<3>,1|O<1>,2|H<1>}	111.6665	0.839	2	111.6665	0.704	2	111.8115	0.333	4	111.4246	0.630	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	112.2820	0.000	1	112.2820	0.000	1	111.8115	0.333	4	111.4246	0.630	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:2:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:S-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(SS)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	112.6470	0.000	1	112.6470	0.000	1	112.6470	0.000	1	112.5410	0.022	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:2:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C(C[6]C[6]N[6]H)(CCS)(SC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCS)(SC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	112.5410	0.022	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:3:1:	3:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.1390	0.331	2	112.1390	0.110	2	112.1390	0.110	2	112.1390	0.110	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:3:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|H<1>}	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:4:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS){1|H<1>,4|C<3>}	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	107.6260	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:4:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	111.2495	0.098	2	111.2495	0.010	2	111.2495	0.010	2	112.5873	2.755	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	111.4020	0.000	1	111.4020	0.000	1	111.7145	0.195	2	112.5873	2.755	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:B[5]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	112.0270	0.000	1	112.0270	0.000	1	111.7145	0.195	2	112.5873	2.755	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	114.0610	1.534	3	114.0610	2.355	3	114.0610	2.355	3	112.5873	2.755	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	3:3:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]N[6]2H)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	C(C[6]N[6]2H)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH){2|C<4>,4|C<3>,4|H<1>}	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[5a,6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO){1|H<1>,1|N<3>,3|C<3>}	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	112.4993	2.286	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	3:4:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	113.2990	0.000	1	113.2990	0.000	1	113.5075	0.087	2	112.4993	2.286	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	3:4:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.7160	0.000	1	113.7160	0.000	1	113.5075	0.087	2	112.4993	2.286	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	3:4:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-4:C-3:	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	112.6540	0.000	1	112.6540	0.000	1	112.6540	0.000	1	112.4993	2.286	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[4]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H)	C(C[4]C[4,5]C[4]C)(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[4]C[4,5]C[4]C)(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[5a,6]N[6]H)(C[6]C[6]2H)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	111.3890	0.033	2	111.3890	0.001	2	111.3890	0.001	2	111.5079	0.133	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H)	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	111.5079	0.133	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	111.9315	0.452	2	111.9315	0.204	2	111.6688	0.112	5	111.5079	0.133	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.4937	0.082	3	111.4937	0.007	3	111.6688	0.112	5	111.5079	0.133	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	111.7977	0.688	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	111.2780	0.000	1	111.2780	0.000	1	112.0160	1.089	2	111.7977	0.688	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|N<3>,1|O<1>}	112.7540	0.000	1	112.7540	0.000	1	112.0160	1.089	2	111.7977	0.688	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.4410	0.000	1	113.4410	0.000	1	111.3700	3.730	3	111.7922	3.200	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CC[5]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	110.3345	1.013	2	110.3345	1.027	2	111.3700	3.730	3	111.7922	3.200	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]N[6]2H)(CCHH)(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	C(C[6]N[6]2H)(CCHH)(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH){2|H<1>,5|C<3>}	113.0590	0.000	1	113.0590	0.000	1	113.0590	0.000	1	111.7922	3.200	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|S<2>,2|H<1>}	112.4360	0.000	1	112.4360	0.000	1	111.6720	1.167	2	111.1586	0.725	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO){1|C<3>,1|S<2>,2|H<1>}	110.9080	0.000	1	110.9080	0.000	1	111.6720	1.167	2	111.1586	0.725	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	110.8110	0.000	1	110.8110	0.000	1	110.4885	0.208	2	111.1586	0.725	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	110.1660	0.000	1	110.1660	0.000	1	110.4885	0.208	2	111.1586	0.725	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6]C[6]CH)2(COO){1|C<3>,3|H<1>}	111.4720	0.000	1	111.4720	0.000	1	111.4720	0.000	1	111.1586	0.725	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CH3)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO){3|C<3>}	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.6257	2.107	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){3|C<3>}	108.2990	0.000	1	108.2990	0.000	1	109.7375	4.139	2	109.6257	2.107	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	111.1760	0.000	1	111.1760	0.000	1	109.7375	4.139	2	109.6257	2.107	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:2:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCHO)(OC)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:2:1:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	N[6](C[6]C[6]MoH)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H){1|Mo<8>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)(OH)(H)	N[6](C[6]C[6]MoH)(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>}	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	113.1130	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:2:2:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	112.0650	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){3|C<3>}	110.8167	0.754	3	110.8167	0.568	3	110.8167	0.568	3	110.8215	0.379	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:F-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	C(C[6]N[6]2H)(CH3)2(F)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	C(C[6]N[6]2H)(CH3)2(F)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	110.8215	0.379	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	3:4:3:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CHHO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	110.3635	0.779	2	110.3635	0.606	2	110.3635	0.606	2	110.3635	0.606	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	112.0315	3.795	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:Si-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(SiC[6a]2C)(CH3)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	110.4210	0.628	2	110.4210	0.394	2	110.4210	0.394	2	112.0315	3.795	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	3:4:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:F-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	C(C[6]N[6]2H)(CH3)2(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	C(C[6]N[6]2H)(CH3)2(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	112.0315	3.795	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.3790	0.124	2	111.3790	0.015	2	110.4177	2.780	3	111.4396	2.059	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.4950	0.000	1	108.4950	0.000	1	110.4177	2.780	3	111.4396	2.059	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	112.3290	0.000	1	112.2060	0.436	4	112.2060	0.436	4	111.4396	2.059	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|C<2>,2|C<3>}	112.1650	0.803	3	112.2060	0.436	4	112.2060	0.436	4	111.4396	2.059	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.3120	0.000	1	110.3120	0.000	1	111.4855	2.754	2	111.4855	2.754	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	112.6590	0.000	1	112.6590	0.000	1	111.4855	2.754	2	111.4855	2.754	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	113.5750	0.000	1	113.5750	0.000	1	113.5750	0.000	1	112.2527	0.760	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:3:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	112.8070	0.000	1	111.9882	0.425	5	111.9882	0.425	5	112.2527	0.760	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:3:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	111.8093	0.654	3	111.9882	0.425	5	111.9882	0.425	5	112.2527	0.760	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:3:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	111.7060	0.000	1	111.9882	0.425	5	111.9882	0.425	5	112.2527	0.760	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,2|C<3>}	112.6540	0.940	2	112.6540	0.884	2	112.6540	0.884	2	111.6582	1.455	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	112.3470	0.000	1	111.1602	1.139	4	111.1602	1.139	4	111.6582	1.455	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	111.7650	0.000	1	111.1602	1.139	4	111.1602	1.139	4	111.6582	1.455	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<2>,1|O<2>,2|C<4>}	110.4020	0.000	1	111.1602	1.139	4	111.1602	1.139	4	111.6582	1.455	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	110.1270	0.000	1	111.1602	1.139	4	111.1602	1.139	4	111.6582	1.455	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:4:	3:4:2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6a]-3:C[6]-4:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	113.1370	0.000	1	113.1370	0.000	1	113.1370	0.000	1	112.1805	1.830	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:4:	3:4:2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6a]-3:C[6]-4:O[6]-2:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	111.2240	0.000	1	111.2240	0.000	1	111.2240	0.000	1	112.1805	1.830	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:4:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){3|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	112.0735	0.166	2	112.0735	0.028	2	112.5302	0.301	4	112.5302	0.301	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:4:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	112.9870	0.199	2	112.9870	0.040	2	112.5302	0.301	4	112.5302	0.301	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:4:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(CHHO)(CH3)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	116.0330	0.000	1	116.0330	0.000	1	116.0330	0.000	1	116.0330	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	3:4:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:S-2:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a])	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a]){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]S)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	112.2350	0.000	1	112.2350	0.000	1	112.2350	0.000	1	112.2350	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	3:4:2:1:	4:3:1:	C[6]-3:N[6]-3:C-4:O-2:	C[5a]-3:C[6]-4:S-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	N[6](C[6]C[6]CO)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC){1|O<1>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]O)(SC)(H)	N[6](C[6]C[6]CO)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:1:1:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	C(C[6]C[6,6a]N[6]O)(F)3	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(F)3	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	108.0690	1.803	2	108.0690	3.251	2	108.0690	3.251	2	108.0690	3.251	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:1:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	C(C[6]C[6]N[6]O)(F)3	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6]O)(F)3	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH){3|C<3>}	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:1:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	110.9590	0.571	2	110.9590	0.326	2	110.9590	0.326	2	110.9590	0.326	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	110.1655	1.291	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.1655	1.291	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.8570	1.312	3	110.8570	1.722	3	110.8570	1.722	3	111.9184	3.080	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]S)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	113.5105	0.653	2	113.5105	0.426	2	113.5105	0.426	2	111.9184	3.080	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:3:1:1:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	111.7810	0.653	2	111.7810	0.427	2	111.7810	0.427	2	111.7810	0.427	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:3:3:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:4:4:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(CCHH)(CH3)(H)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	108.5640	1.136	2	108.5640	1.290	2	109.5083	3.320	3	109.5083	3.320	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:4:4:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]O)(CH3)2(H)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	111.3970	0.000	1	111.3970	0.000	1	109.5083	3.320	3	109.5083	3.320	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:4:4:1:	4:3:4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC)	C(C[6]C[6]N[6]S)(CH3)2(H)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]S)(CH3)2(H)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	113.7150	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:2:	4:4:4:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	109.6635	0.426	2	109.6635	0.182	2	109.6635	0.182	2	109.6635	0.182	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	3:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO)	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO){5|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	108.7892	0.545	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	109.0680	0.456	4	109.0680	0.208	4	109.0680	0.208	4	108.7892	0.545	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	C(C[6]C[6,6a]N[6]C)(F)3	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(F)3	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	108.4665	2.950	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:3:1:	N[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO)	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|S<4>}	109.6810	0.000	1	109.6810	0.000	1	109.6810	0.000	1	108.4665	2.950	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3)	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3){1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	111.8470	0.000	1	111.8470	0.000	1	110.2474	2.185	9	110.2474	2.185	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){3|H<1>,4|C<3>}	110.0787	0.721	4	110.0787	0.520	4	110.2474	2.185	9	110.2474	2.185	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	110.0162	2.084	4	110.0162	4.344	4	110.2474	2.185	9	110.2474	2.185	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	108.3145	2.746	2	108.9167	4.189	6	108.9167	4.189	6	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	109.2177	2.026	4	108.9167	4.189	6	108.9167	4.189	6	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[6,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H){1|H<1>,4|C<3>}	107.6580	2.957	2	107.6580	8.745	2	107.6580	8.745	2	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2{1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	107.5558	3.182	4	107.5558	10.127	4	107.5558	10.127	4	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{4|C<3>}	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	110.4655	2.553	2	110.4655	6.520	2	110.4655	6.520	2	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6,6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6,6]H)(CH3)2{3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H){1|C<2>,1|H<1>,3|C<3>}	107.9445	0.957	2	107.9445	0.915	2	108.7193	2.914	4	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	109.4940	2.329	2	109.4940	5.425	2	108.7193	2.914	4	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	110.3120	2.093	2	110.3120	4.381	2	109.9794	3.257	11	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	110.7475	2.920	2	110.7475	8.524	2	109.9794	3.257	11	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)2(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)2(CH3)2{3|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	109.9235	0.868	2	109.9235	0.753	2	109.9794	3.257	11	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3)	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3){1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	109.0830	0.000	1	109.0830	0.000	1	109.9794	3.257	11	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	109.0530	3.227	2	109.6810	5.450	4	109.9794	3.257	11	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	110.3090	2.087	2	109.6810	5.450	4	109.9794	3.257	11	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	109.1623	1.062	4	109.1623	1.129	4	109.1623	1.129	4	109.1294	4.312	33	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3){1|C<4>,1|H<1>,6|C<3>}	108.5540	0.000	1	108.5540	0.000	1	108.5540	0.000	1	110.2948	0.835	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	110.5124	0.683	8	110.5124	0.467	8	110.5124	0.467	8	110.2948	0.835	9	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:2:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(N[6]C[6])(H)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(N[6]C[6])(H){1|O<1>,2|C<3>}	110.7292	3.421	6	110.7292	11.706	6	110.7292	11.706	6	110.7292	11.706	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2	C(C[6]C[5,6]N[6]C)(H)3	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]N[6]C)(H)3	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	108.6980	0.882	2	108.6980	0.779	2	108.6980	0.779	2	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:P-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	C(C[6]C[6,6a]N[6]P)(F)3	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]P)(F)3	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	108.5220	0.000	1	108.5220	0.000	1	108.5220	0.000	1	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	108.3195	0.849	36	108.3195	0.722	36	108.3304	0.844	46	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>}	108.6030	0.167	2	108.6030	0.028	2	108.3304	0.844	46	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.3145	1.836	2	109.3145	3.372	2	108.3304	0.844	46	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]S)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)2{1|C<4>,1|S<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.8870	1.457	2	108.8870	2.122	2	108.3304	0.844	46	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]S)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]S)(H)	C[6](C[6]O[6]S)(N[6]C[6]H)(CH3)2{1|C<4>,1|S<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	107.5217	0.789	4	107.5217	0.623	4	108.3304	0.844	46	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6]N[5a,6]CC)(C[6]N[6]N)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|N<2>}	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6]N[5a,6]CC)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	110.7113	0.844	4	110.7113	0.713	4	110.7113	0.713	4	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|S<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]S)(H){1|C<4>,2|C<3>}	108.5070	2.222	2	108.5070	4.936	2	109.4530	1.942	6	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]H)2(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(CH3)2{1|N<2>,2|N<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	109.9260	0.835	4	109.9260	0.697	4	109.4530	1.942	6	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(O)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	109.0095	1.218	8	109.0095	1.482	8	109.0095	1.482	8	108.6680	1.327	67	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]N)(CH3)2	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]N)(CH3)2{1|C<4>,1|O<1>,2|N<2>}	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	109.7370	0.786	2	109.7370	0.618	2	109.7370	0.618	2	109.0913	1.560	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	107.8000	0.000	1	107.8000	0.000	1	107.8000	0.000	1	109.0913	1.560	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|S<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	111.0135	2.204	2	111.0135	4.858	2	111.0135	4.858	2	111.0135	4.858	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O){1|H<1>,2|C<3>,4|C<4>}	107.8680	0.600	2	107.8680	0.360	2	107.8680	0.360	2	108.1317	1.505	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)2{1|C<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<3>,3|H<1>}	108.3955	1.969	2	108.3955	3.878	2	108.3955	3.878	2	108.1317	1.505	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5,6]N[6]C)(H)3	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]C)(H)3	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,2|H<1>}	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	110.8710	1.025	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(H)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	110.1550	0.000	1	110.1550	0.000	1	110.1550	0.000	1	110.8710	1.025	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:2:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C(C[6]C[6,6a]N[6]C)(OC)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(OC)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:3:1:1:	3:3:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3)	C(C[6]N[6]2C)(CCO)(H)2	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3){1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(CCO)(H)2	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:3:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3)	C(C[6]N[6]2C)(CCO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3){1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(CCO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	113.4120	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:3:1:1:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C(C[6]C[6a]C[6]N[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH)	C(C[6]C[6]N[6]C)(CCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]C)(CCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>}	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	109.9810	0.000	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:3:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>}	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	109.9810	0.000	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|C<3>,1|N<2>,1|O<1>}	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	109.0360	0.038	4	109.0360	0.001	4	109.0360	0.001	4	109.1906	0.688	20	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|C<3>,1|N<2>,1|O<1>}	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	109.2330	1.271	4	109.2293	0.863	16	109.2293	0.863	16	109.1906	0.688	20	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	109.2280	0.858	12	109.2293	0.863	16	109.2293	0.863	16	109.1906	0.688	20	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C(C[6]N[6]2C)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C(C[6]N[6]2C)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	109.2583	1.424	8	109.2583	2.029	8	109.2559	1.517	22	109.2559	1.517	22	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)2	C(C[6]N[6]2C)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	C(C[6]N[6]2C)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	109.2545	1.165	14	109.2545	1.358	14	109.2559	1.517	22	109.2559	1.517	22	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CCHH)2	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CCHH)2{1|C<4>,1|O<1>,2|N<2>}	C(C[6]C[5a,6]N[6]C)(CH3)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	109.9400	0.540	6	109.9400	0.291	6	109.9400	0.291	6	109.6660	0.495	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2{1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H){4|C<3>}	108.8440	0.458	2	108.8440	0.210	2	108.8440	0.210	2	109.6660	0.495	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,2|H<1>}	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<2>,2|H<1>,3|C<3>}	107.1890	0.209	2	107.1890	0.044	2	107.1890	0.044	2	107.1890	0.044	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	109.5480	0.561	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	109.0700	0.000	1	109.1757	0.010	3	109.1757	0.010	3	109.5480	0.561	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	109.2690	0.000	1	109.1757	0.010	3	109.1757	0.010	3	109.5480	0.561	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	109.1880	0.000	1	109.1757	0.010	3	109.1757	0.010	3	109.5480	0.561	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O){1|C<4>,2|C<3>,3|H<1>}	110.6035	0.511	2	110.6035	0.261	2	110.5586	0.833	10	110.6799	0.842	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO){1|C<4>,2|C<3>,3|H<1>}	111.4083	0.618	4	111.4083	0.382	4	110.5586	0.833	10	110.6799	0.842	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS){1|C<4>,2|C<3>,3|H<1>}	109.6865	0.228	4	109.6865	0.052	4	110.5586	0.833	10	110.6799	0.842	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:P-3:	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO)	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO){1|C<4>,2|C<3>,3|H<1>}	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	110.6799	0.842	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:B[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H){3|C<3>,5|C<4>}	110.8560	0.795	2	110.8560	0.632	2	110.8560	0.632	2	110.6799	0.842	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	110.6799	0.842	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	C(C[6]C[6]N[6]H)(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	110.5916	2.814	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:S-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	108.7030	0.000	1	108.7030	0.000	1	108.7030	0.000	1	110.5916	2.814	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.6425	0.274	2	111.6425	0.075	2	111.6425	0.075	2	110.5916	2.814	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	111.5850	0.000	1	111.5850	0.000	1	111.5850	0.000	1	110.5916	2.814	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	110.5916	2.814	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	112.5880	0.000	1	112.5880	0.000	1	112.5880	0.000	1	110.5916	2.814	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	111.7770	0.000	1	111.7770	0.000	1	112.8070	2.122	2	112.9333	8.177	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.8370	0.000	1	113.8370	0.000	1	112.8070	2.122	2	112.9333	8.177	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C[4]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(C[4]N[4]2)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H){2|C<4>,2|N<3>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(C[4]N[4]2){1|In<4>,1|C<4>,2|C<3>,4|H<1>}	113.0595	4.727	2	113.0595	22.345	2	113.0595	22.345	2	112.9333	8.177	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:2:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H){2|H<1>,2|N<3>}	C(C[6]C[6]N[6]H)(SC[6a])(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	110.9805	0.873	4	110.9805	0.761	4	110.9805	0.761	4	110.9805	0.761	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:2:4:4:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:C-4:C-4:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H)	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H){2|C<3>}	C(C[6]C[6]N[6]H)(OC[6a])(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	115.0920	0.000	1	115.0920	0.000	1	115.0920	0.000	1	115.0920	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:1:1:	3:4:2:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO){1|O<2>,2|C<3>,3|H<1>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	109.7630	0.000	1	109.7630	0.000	1	110.6020	1.408	2	110.6020	1.408	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	111.4410	0.000	1	111.4410	0.000	1	110.6020	1.408	2	110.6020	1.408	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:1:1:	4:3:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	111.0820	0.000	2	111.0820	0.000	2	111.0820	0.000	2	111.0820	0.000	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:3:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	109.6890	0.000	1	109.8510	0.052	2	109.8510	0.052	2	109.8510	0.052	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:3:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){2|H<1>,2|N<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	110.0130	0.000	1	109.8510	0.052	2	109.8510	0.052	2	109.8510	0.052	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.5190	0.005	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:Si-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H)	C(C[6]C[6]N[6]H)(SiC3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(SiC3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5190	0.005	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:B-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(BC[6a]3)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	112.0720	0.000	1	112.0720	0.000	1	112.0720	0.000	1	111.8425	0.218	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	111.8425	0.218	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H){1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	112.0415	0.357	2	112.0415	0.128	2	112.0415	0.128	2	111.8425	0.218	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	109.8150	15.490	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	107.0320	0.000	1	107.0320	0.000	1	107.0320	0.000	1	109.8150	15.490	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	4:3:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	115.1330	0.000	1	115.1330	0.000	1	115.1330	0.000	1	115.1330	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:C-3:	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO)	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H){1|O<2>,4|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO){4|C<4>,6|H<1>}	111.9240	0.000	1	111.9240	0.000	1	111.5225	0.322	2	112.5023	3.041	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[4,6,6]-4:C[6]-4:C-3:	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO)	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,6|H<1>}	111.1210	0.000	1	111.1210	0.000	1	111.5225	0.322	2	112.5023	3.041	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H){1|N<2>,3|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O){1|C<3>,3|C<4>,7|H<1>}	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	112.5023	3.041	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:4:1:	3:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:4:1:	4:4:3:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,7|H<1>}	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:2:	4:4:3:1:	3:4:1:	N[6]-3:C[6]-4:C-4:O-2:	C[6]-4:C-4:N-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH)	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]O)(CH3)(NCH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	107.0550	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	108.9640	0.000	1	108.9640	0.000	1	108.5340	0.370	2	108.1625	0.373	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.1040	0.000	1	108.1040	0.000	1	108.5340	0.370	2	108.1625	0.373	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	107.7910	0.443	2	107.7910	0.196	2	107.7910	0.196	2	108.1625	0.373	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC){1|C<4>,4|C<3>,5|H<1>}	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.6997	7.598	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[3x6]Rh)(C[6a]C[6a]2)(C[6]C[6]CC)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[3x6]Rh)(C[6a]C[6a]2)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	109.8415	3.883	2	109.8415	15.076	2	109.8415	15.076	2	109.6997	7.598	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H){3|H<1>,4|C<4>}	107.0468	0.587	4	107.0468	0.344	4	107.0468	0.344	4	108.5109	2.767	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	109.3775	2.343	2	109.0965	2.549	10	109.0965	2.549	10	108.5109	2.767	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	109.3185	1.841	2	109.0965	2.549	10	109.0965	2.549	10	108.5109	2.767	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){3|C<3>,3|H<1>}	108.7638	1.541	4	109.0965	2.549	10	109.0965	2.549	10	108.5109	2.767	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	109.2590	2.488	2	109.0965	2.549	10	109.0965	2.549	10	108.5109	2.767	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:2:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-2:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6]){2|C<3>,2|H<1>,5|C<4>}	110.8060	0.495	2	110.8060	0.245	2	110.8060	0.245	2	110.8060	0.245	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[5]C[3,5]C[5])(C[6]C[6]CC)2	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,5|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[5]C[3,5]C[5])(C[6]C[6]CC)2{1|B<4>,1|B<5>,2|C<4>,7|H<1>}	111.1190	0.749	4	111.1190	0.562	4	111.1190	0.562	4	111.7354	7.058	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	112.3517	3.859	4	112.3517	14.893	4	112.3517	14.893	4	111.7354	7.058	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:3:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(C[5]O[5]2)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(C[5]O[5]2){1|B<4>,2|C<4>,4|H<1>}	110.1995	1.196	4	110.1995	1.432	4	110.1995	1.432	4	110.1995	1.432	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	3:4:4:4:	4:3:1:1:	3:3:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC){1|C<4>,4|C<3>,5|H<1>}	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:3:1:	4:3:1:1:	4:3:4:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:Cl-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(Cl)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H){1|O<2>,2|O<1>}	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C[6]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	C(C[5,5]C[5,6a]2C[5,5])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.6200	0.000	1	112.6200	0.000	1	113.7240	2.438	2	113.7240	2.438	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:3:1:	4:4:1:1:	4:3:1:	C-4:C[6]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.8280	0.000	1	114.8280	0.000	1	113.7240	2.438	2	113.7240	2.438	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[6]-4:C[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]2N[6])(H)3	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[6]C[6]2N[6])(H)3	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	N[6](C[5,6]N[5,6,6]N[5])(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|N<3>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(H)2	N[6](C[5,6]N[5,6,6]N[5])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:2:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(NN)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|N<3>,2|C<4>}	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:2:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	109.9040	0.000	1	109.9040	0.000	1	110.0150	0.102	4	110.0150	0.102	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:2:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS){1|C<4>,4|H<1>}	109.8580	0.255	2	109.8580	0.065	2	110.0150	0.102	4	110.0150	0.102	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:2:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	110.4400	0.000	1	110.4400	0.000	1	110.0150	0.102	4	110.0150	0.102	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H){1|N<3>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	109.4260	1.198	2	109.4260	1.435	2	109.3610	0.730	3	109.0346	1.231	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H){4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|O<2>,2|H<1>,3|C<3>}	109.2310	0.000	1	109.2310	0.000	1	109.3610	0.730	3	109.0346	1.231	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	109.6990	0.000	1	109.6990	0.000	1	108.5450	2.663	2	109.0346	1.231	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	107.3910	0.000	1	107.3910	0.000	1	108.5450	2.663	2	109.0346	1.231	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O){2|C<4>,3|H<1>}	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	112.2240	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H)	C(C[6]C[6]N[6]H)(Br)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(Br)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	107.2960	0.000	1	107.2960	0.000	1	107.7530	0.418	2	109.7957	3.182	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H)	C(C[6]C[6]N[6]H)(Br)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(Br)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	108.2100	0.000	1	108.2100	0.000	1	107.7530	0.418	2	109.7957	3.182	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	C(C[6]C[6]N[6]H)(F)3	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(F)3	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH){1|H<1>,3|C<3>}	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	109.7957	3.182	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	111.2740	0.000	1	111.2740	0.000	1	110.2142	1.271	4	109.7957	3.182	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH){1|H<1>,3|C<3>}	108.7960	0.000	1	108.7960	0.000	1	110.2142	1.271	4	109.7957	3.182	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	109.8390	0.000	1	109.8390	0.000	1	110.2142	1.271	4	109.7957	3.182	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	110.9480	0.000	1	110.9480	0.000	1	110.2142	1.271	4	109.7957	3.182	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H)	C(C[6]C[6]N[6]H)(Cl)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(Cl)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	109.5280	0.028	2	109.5280	0.001	2	109.5280	0.001	2	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:N[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H)	C(C[6]C[6]N[6]H)(F)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(F)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	112.8345	0.250	2	112.8345	0.062	2	112.8345	0.062	2	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|S<2>}	109.4700	0.682	2	109.4700	0.465	2	109.4894	0.286	10	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	109.7250	0.000	1	109.7250	0.000	1	109.4894	0.286	10	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	109.0430	0.424	2	109.2993	0.406	4	109.4894	0.286	10	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	108.9330	0.000	1	109.2993	0.406	4	109.4894	0.286	10	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	110.1780	0.000	1	109.2993	0.406	4	109.4894	0.286	10	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|O<2>,2|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,2|H<1>}	109.5935	0.739	2	109.5935	0.546	2	109.4894	0.286	10	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	109.8450	0.000	1	109.8450	0.000	1	109.4894	0.286	10	109.9728	1.673	14	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	C(C[6]C[6]N[6]H)(Cl)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(Cl)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	110.5475	0.156	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,3|H<1>}	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	110.5475	0.156	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	111.7280	0.021	2	111.7280	0.000	2	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,2|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	112.0660	0.000	1	112.0660	0.000	1	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){2|C<3>,2|H<1>}	111.8915	0.722	2	111.8915	0.521	2	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	111.0590	0.000	1	111.0590	0.000	1	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	111.5340	0.000	1	111.5340	0.000	1	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|O<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	110.7420	0.000	1	110.7420	0.000	1	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|S<2>,3|H<1>}	110.1810	0.000	1	110.1810	0.000	1	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	110.9550	0.000	1	110.9550	0.000	1	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	112.0940	0.000	1	112.0940	0.000	1	111.4427	0.438	11	111.4427	0.438	11	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]N[6]H)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,6|H<1>}	C(C[6]C[6,6]N[6]H)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO){2|H<1>,3|C<4>}	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(COO){1|C<4>,4|H<1>}	111.4810	0.000	1	111.4810	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){2|C<4>,3|H<1>}	110.7240	0.000	1	110.7240	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	112.7070	0.000	1	112.7070	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO){1|C<4>,4|H<1>}	112.5920	0.000	1	112.5920	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O){1|C<4>,4|H<1>}	112.5410	0.000	1	112.5410	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	111.0920	0.000	1	111.0920	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	111.8970	0.000	1	111.3623	0.528	3	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	110.5350	0.000	1	111.3623	0.528	3	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	111.6550	0.000	1	111.3623	0.528	3	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CC[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CC[6]O){1|C<4>,4|H<1>}	111.7730	0.000	1	111.7730	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	115.3060	1.912	2	115.3060	3.656	2	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CNS)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CNS){1|C<4>,4|H<1>}	111.6510	0.664	4	111.6510	0.441	4	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){1|C<4>,1|N<3>,3|H<1>}	111.3550	0.000	1	111.3550	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	111.4240	0.000	1	111.4240	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(COO){1|N<3>,4|H<1>}	112.8125	0.016	2	112.8125	0.000	2	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO){1|N<3>,3|C<3>,3|H<1>}	113.6140	0.000	1	113.6140	0.000	1	112.2015	1.867	21	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO){1|C<4>,4|H<1>}	111.5760	0.000	1	111.5760	0.000	1	111.5760	0.000	1	112.1140	1.794	23	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(Cl)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO){1|C<4>,1|N<3>,3|H<1>}	109.7040	0.000	1	109.7040	0.000	1	109.7040	0.000	1	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CSnNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CSnNN){1|C<4>,4|H<1>}	113.6945	2.427	2	113.6945	5.893	2	113.6945	5.893	2	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	111.8670	0.000	1	111.8670	0.000	1	112.1309	2.451	7	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<4>}	112.6390	0.000	1	112.6390	0.000	1	112.1309	2.451	7	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	113.4030	0.000	1	113.4000	0.000	2	112.1309	2.451	7	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	113.3970	0.000	1	113.4000	0.000	2	112.1309	2.451	7	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.5930	0.000	1	111.8390	6.153	2	112.1309	2.451	7	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	110.0850	0.000	1	111.8390	6.153	2	112.1309	2.451	7	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.9320	0.000	1	109.9320	0.000	1	112.1309	2.451	7	112.2009	3.481	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(OH)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	108.9400	0.000	1	108.9400	0.000	1	108.9400	0.000	1	109.9423	1.117	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,2|H<1>}	108.9000	0.243	2	108.9000	0.059	2	110.0537	1.117	9	109.9423	1.117	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	110.4920	0.100	2	110.4920	0.010	2	110.0537	1.117	9	109.9423	1.117	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	112.0890	0.000	1	112.0890	0.000	1	110.0537	1.117	9	109.9423	1.117	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	110.3695	0.688	2	110.3695	0.473	2	110.0537	1.117	9	109.9423	1.117	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	109.4355	0.487	2	109.4355	0.237	2	110.0537	1.117	9	109.9423	1.117	10	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:3:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]N[6]H)(OH)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,2|O<2>}	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.2537	0.830	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.1940	0.000	1	113.1940	0.000	1	112.0473	0.989	3	112.2537	0.830	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	111.5250	0.000	1	111.5250	0.000	1	112.0473	0.989	3	112.2537	0.830	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	111.4230	0.000	1	111.4230	0.000	1	112.0473	0.989	3	112.2537	0.830	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	112.8230	0.000	1	112.8230	0.000	1	111.9270	1.606	2	111.9270	1.606	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OS)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OS)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	111.0310	0.000	1	111.0310	0.000	1	111.9270	1.606	2	111.9270	1.606	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:2:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-2:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CC)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(CC)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H){1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5,6]N[6]H)(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	3:4:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H){1|O<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC){1|C<4>,3|C<3>}	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	3:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|Br<1>,2|H<1>,3|C<3>}	110.5850	0.000	1	110.7313	0.632	3	110.7313	0.632	3	110.7313	0.632	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	3:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|I<1>,2|H<1>,3|C<3>}	110.8045	1.109	2	110.7313	0.632	3	110.7313	0.632	3	110.7313	0.632	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H){1|H<1>,5|C<3>}	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	107.7970	0.000	1	107.7970	0.000	1	107.7970	0.000	1	110.2750	12.281	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	112.7530	0.000	1	112.7530	0.000	1	112.7530	0.000	1	110.2750	12.281	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:2:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O)	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	109.7370	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	108.4893	0.611	3	108.4893	0.373	3	108.4893	0.373	3	108.4627	0.251	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|Si<4>,1|C<3>,2|H<1>}	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.4627	0.251	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(CCH)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[6]C[6,6]N[6]H)(CCH)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	111.6164	0.510	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	110.6040	0.000	1	110.6040	0.000	1	110.9657	0.114	3	111.6164	0.510	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	111.1465	0.179	2	111.1465	0.032	2	110.9657	0.114	3	111.6164	0.510	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	112.0700	0.000	1	112.0700	0.000	1	112.2535	0.032	4	111.6164	0.510	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|S<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	112.3147	0.159	3	112.3147	0.025	3	112.2535	0.032	4	111.6164	0.510	8	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:S-4:N[6]-2:	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(SC[6a]OO)(N[6]C[6])	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)2(COO){1|C<3>,3|H<1>}	111.2930	0.000	1	111.2930	0.000	1	111.8967	3.099	4	111.6093	2.326	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6]CH)2(COO){1|C<4>,1|O<2>,3|H<1>}	112.6960	0.000	1	112.6960	0.000	1	111.8967	3.099	4	111.6093	2.326	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)2(COO){1|C<4>,1|O<2>,3|H<1>}	113.8330	0.000	1	113.8330	0.000	1	111.8967	3.099	4	111.6093	2.326	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,1|N<3>,3|H<1>}	109.7650	0.000	1	109.7650	0.000	1	111.8967	3.099	4	111.6093	2.326	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){3|C<3>,4|H<1>}	110.2160	0.000	1	110.2160	0.000	1	111.0345	1.340	2	111.6093	2.326	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	111.8530	0.000	1	111.8530	0.000	1	111.0345	1.340	2	111.6093	2.326	6	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(COO)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]N[6]H)(COO)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	112.0862	1.518	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO){2|H<1>,3|C<4>}	110.7510	0.000	1	110.7510	0.000	1	111.0995	0.243	2	112.0862	1.518	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<4>,3|H<1>}	111.4480	0.000	1	111.4480	0.000	1	111.0995	0.243	2	112.0862	1.518	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Si<3>,1|C<4>,3|H<1>}	111.7450	0.000	1	111.7450	0.000	1	112.8630	2.500	2	112.0862	1.518	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,4|H<1>}	113.9810	0.000	1	113.9810	0.000	1	112.8630	2.500	2	112.0862	1.518	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:2:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	108.7547	0.681	3	108.7547	0.463	3	108.7547	0.463	3	108.7547	0.463	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:2:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:3:2:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	112.0070	0.380	2	112.0070	0.145	2	113.0956	1.503	5	113.0956	1.503	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:3:2:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	113.0190	0.000	1	113.0190	0.000	1	113.0956	1.503	5	113.0956	1.503	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:3:2:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	114.9120	0.000	1	114.9120	0.000	1	113.0956	1.503	5	113.0956	1.503	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:3:2:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OH)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	113.5330	0.000	1	113.5330	0.000	1	113.0956	1.503	5	113.0956	1.503	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,5,6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H)	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H)	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[5,5,6,6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H){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	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H){1|O<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	110.0910	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|O<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	109.0340	1.158	2	109.0340	1.342	2	109.0666	1.024	5	109.0666	1.024	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]2)(H){1|C<4>,2|C<3>,4|H<1>}	109.7600	0.000	1	109.7600	0.000	1	109.0666	1.024	5	109.0666	1.024	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	108.7525	1.440	2	108.7525	2.075	2	109.0666	1.024	5	109.0666	1.024	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	109.9795	0.906	2	109.6523	0.731	3	109.3648	1.770	5	109.3648	1.770	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	108.9980	0.000	1	109.6523	0.731	3	109.3648	1.770	5	109.3648	1.770	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	108.9335	2.235	2	108.9335	4.996	2	109.3648	1.770	5	109.3648	1.770	5	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3){1|Fe<10>,3|C<4>}	111.0830	0.000	1	111.0830	0.000	1	111.0830	0.000	1	111.6840	0.960	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:Br-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(Br)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	112.2405	1.309	2	112.2405	1.713	2	112.2405	1.713	2	111.6840	0.960	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|O<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	112.5360	0.000	1	112.5360	0.000	1	111.3960	1.346	3	111.6840	0.960	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	110.2170	0.000	1	110.8260	0.742	2	111.3960	1.346	3	111.6840	0.960	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	111.4350	0.000	1	110.8260	0.742	2	111.3960	1.346	3	111.6840	0.960	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	111.6840	0.960	7	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,2|H<1>}	114.1000	0.000	1	114.1000	0.000	1	114.1000	0.000	1	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	109.8170	0.000	1	109.8170	0.000	1	109.8170	0.000	1	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(COO){1|C<4>,4|H<1>}	111.8820	0.000	1	111.8820	0.000	1	112.0980	0.701	9	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|F<1>,1|H<1>,2|C<3>}	112.8130	0.000	1	112.8130	0.000	1	112.0980	0.701	9	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	112.7530	0.000	2	112.7530	0.000	2	112.0980	0.701	9	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	112.3185	0.508	2	112.3185	0.258	2	112.0980	0.701	9	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6]C[6]CH)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6]C[6]CH)2(COO){1|C<3>,4|H<1>}	111.4485	1.445	2	111.4485	2.087	2	112.0980	0.701	9	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|Mo<8>,1|C<4>,2|H<1>}	111.1470	0.000	1	111.1470	0.000	1	112.0980	0.701	9	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	C(C[6]C[6]N[6]H)(NCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	111.6565	1.187	2	111.6565	1.410	2	111.6565	1.410	2	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[5]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H)	C(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(N[5]C[5]2H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	112.4030	0.000	1	112.4030	0.000	1	112.4030	0.000	1	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	112.3070	0.000	1	112.3070	0.000	1	112.3070	0.000	1	112.0548	1.195	15	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	112.3650	0.000	2	112.3650	0.000	2	112.3650	0.000	2	112.3650	0.000	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCCH)(OC)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH){1|H<1>,3|C<3>}	109.9575	0.115	2	109.9575	0.013	2	109.9575	0.013	2	109.9575	0.013	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(OH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){3|C<4>}	111.5965	0.472	2	111.5965	0.222	2	111.4305	0.111	4	111.4305	0.111	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCO)(OH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	111.2370	0.000	1	111.2370	0.000	1	111.4305	0.111	4	111.4305	0.111	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	111.2920	0.000	1	111.2920	0.000	1	111.4305	0.111	4	111.4305	0.111	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,1|N<3>}	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CH3)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,2|C<4>,2|H<1>}	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:3:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|N<4>,1|O<1>}	C(C[6]C[6]N[6]H)(CCCO)(CCH)(H)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH){1|Cl<1>,2|C<4>,2|H<1>}	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:3:1:	4:3:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(CCO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:3:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CH3)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	111.6060	1.527	2	111.6060	2.333	2	111.6060	2.333	2	111.6060	2.333	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:3:1:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]P[6]H)(CH3)2(H)	N[6](C[6]P[6]CH)(C[6]C[6]O)(H)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6]N[6]P[6]H)(CH3)2(H)	N[6](C[6]P[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:3:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO){1|C<4>,2|H<1>}	109.5480	0.655	3	109.5480	0.429	3	109.5480	0.429	3	109.5480	0.429	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO){1|C<4>,4|H<1>}	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	110.6420	0.000	1	110.6420	0.000	1	110.0380	0.730	2	110.0380	0.730	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	109.4340	0.000	1	109.4340	0.000	1	110.0380	0.730	2	110.0380	0.730	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C(C[6]C[6]N[6]O)(F)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]O)(F)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	107.0717	0.665	10	107.0717	0.442	10	107.2420	0.465	13	107.5408	0.800	16	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C(C[6]C[6]N[6]O)(F)3	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]O)(F)3	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	107.8097	0.417	3	107.8097	0.174	3	107.2420	0.465	13	107.5408	0.800	16	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC)	C(C[6]C[6]N[6]O)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6]O)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	108.9610	0.000	1	108.9610	0.000	1	108.8357	0.115	3	107.5408	0.800	16	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH)	C(C[6]C[6]N[6]O)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH){1|C<4>,1|N<3>,1|O<2>,1|S<1>}	C(C[6]C[6]N[6]O)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	108.7730	0.454	2	108.7730	0.206	2	108.8357	0.115	3	107.5408	0.800	16	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:2:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	C(C[6]C[6]N[6]O)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	C(C[6]C[6]N[6]O)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:2:	4:3:1:1:	4:3:4:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C(C[6]C[6,6]N[6]O)(CCH)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[6]C[6,6]N[6]O)(CCH)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	109.7520	0.000	1	109.7520	0.000	1	109.7530	0.000	2	109.7530	0.000	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:2:	4:3:1:1:	4:3:4:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	C(C[6]C[6,6]N[6]O)(CCH)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[6]C[6,6]N[6]O)(CCH)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	109.7540	0.000	1	109.7540	0.000	1	109.7530	0.000	2	109.7530	0.000	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:2:	4:4:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC)	C(C[6]C[6]N[6]O)(CCHH)(H)2	N[6](C[6,6]N[5,6,6]N[6])(C[6]C[6]CO)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC){1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6]N[6]O)(CCHH)(H)2	N[6](C[6,6]N[5,6,6]N[6])(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:3:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	109.6740	0.000	1	109.6740	0.000	1	110.0760	2.221	3	110.0760	2.221	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:3:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	108.8280	0.000	1	108.8280	0.000	1	110.0760	2.221	3	110.0760	2.221	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:3:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	111.7260	0.000	1	111.7260	0.000	1	110.0760	2.221	3	110.0760	2.221	3	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2	C(C[6]C[5,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2{1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	108.4977	1.629	4	108.4977	2.654	4	108.4977	2.654	4	108.1020	1.188	36	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[5,6]N[5,5,6]N[5])(C[6]C[6]CC)(H)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2{1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[5,6]N[5,5,6]N[5])(C[6]C[6]CC)(H){3|C<4>,3|H<1>}	108.5690	1.503	2	108.5690	2.260	2	108.5690	2.260	2	108.1020	1.188	36	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	108.3029	1.095	8	108.3029	1.200	8	108.2515	0.997	20	108.1020	1.188	36	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	108.3575	0.941	2	108.3575	0.886	2	108.2515	0.997	20	108.1020	1.188	36	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	108.0841	1.141	8	108.0841	1.303	8	108.2515	0.997	20	108.1020	1.188	36	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(H){2|O<2>,3|C<3>}	108.6095	0.103	2	108.6095	0.011	2	108.2515	0.997	20	108.1020	1.188	36	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	107.6280	1.198	2	107.6280	1.435	2	107.5514	0.876	10	108.1020	1.188	36	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.5323	0.959	8	107.5323	0.919	8	107.5514	0.876	10	108.1020	1.188	36	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH){2|C<3>,2|H<1>}	109.2220	0.967	2	109.2220	0.936	2	109.2220	0.936	2	109.2220	0.936	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]C)(C[6]C[6]CC)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6,6a]C)(C[6]C[6]CC)(CH3){2|C<3>,2|H<1>}	109.1085	2.891	2	109.1085	8.360	2	109.1085	8.360	2	109.1085	8.360	2	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>}	108.5675	0.309	2	108.5675	0.095	2	108.5675	0.095	2	109.4117	5.253	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	110.2560	3.579	2	110.2560	12.812	2	110.2560	12.812	2	109.4117	5.253	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.3120	0.695	4	108.3120	0.483	4	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.0477	0.720	8	108.3692	0.613	16	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|S<4>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.6908	0.748	8	108.3692	0.613	16	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<3>,3|H<1>}	109.0010	0.062	2	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.6127	0.933	12	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	107.6900	1.233	2	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.3596	1.014	36	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.3743	1.016	81	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.6194	1.103	16	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.4035	1.345	123	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<3>,4|H<1>}	108.4368	0.172	8	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	107.2046	1.164	42	108.2535	1.498	322	108.2596	1.442	342	108.2596	1.442	342	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:B-2:	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BN){1|C<4>,4|H<1>}	109.9995	2.010	8	109.9995	4.042	8	109.9995	4.042	8	110.1035	11.473	46	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CC){1|C<4>,4|H<1>}	108.2652	0.758	8	108.2652	0.574	8	108.2652	0.574	8	110.1035	11.473	46	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	111.3043	5.054	16	111.3043	25.548	16	110.4214	20.635	22	110.1035	11.473	46	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OFe)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OFe){1|C<4>,4|H<1>}	107.9680	0.345	2	107.9680	0.119	2	110.4214	20.635	22	110.1035	11.473	46	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OH){1|C<4>,4|H<1>}	108.1165	1.189	4	108.1165	1.413	4	110.4214	20.635	22	110.1035	11.473	46	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-2:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PN)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PN){1|C<4>,4|H<1>}	111.7550	1.692	4	111.7550	2.862	4	111.1715	1.737	8	110.1035	11.473	46	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-2:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PP)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PP){1|C<4>,4|H<1>}	110.5880	0.533	4	110.5880	0.284	4	111.1715	1.737	8	110.1035	11.473	46	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BClN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BClN){1|C<4>,4|H<1>}	110.6737	1.161	4	110.6737	1.347	4	111.0992	3.979	12	110.6302	2.461	40	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BNO)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BNO){1|C<4>,4|H<1>}	111.0033	1.395	4	111.0033	1.947	4	111.0992	3.979	12	110.6302	2.461	40	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BN[6]As)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BN[6]As){1|C<4>,4|H<1>}	111.6208	3.268	4	111.6208	10.677	4	111.0992	3.979	12	110.6302	2.461	40	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCH){1|C<4>,4|H<1>}	109.9148	1.476	16	109.9148	2.179	16	110.1063	2.031	20	110.6302	2.461	40	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(COO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(COO){1|C<4>,4|H<1>}	110.8723	0.994	4	110.8723	0.988	4	110.1063	2.031	20	110.6302	2.461	40	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(POO)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(POO){1|C<4>,4|H<1>}	111.2365	0.604	8	111.2365	0.365	8	111.2365	0.365	8	110.6302	2.461	40	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:Si-4:	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(SiC[5]2Fe)	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(SiC[5]2Fe){1|C<4>,4|H<1>}	110.3895	1.760	4	110.3895	3.096	4	110.3895	3.096	4	110.3895	3.096	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP2_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	5:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	Si-5:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](SiC[5]2FeH)(C[6]C[6]CC)2	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](SiC[5]2FeH)(C[6]C[6]CC)2{1|C<4>,4|H<1>}	110.9110	1.055	4	110.9110	1.113	4	110.9110	1.113	4	110.9110	1.113	4	109.8397	4.294	1337	109.8863	4.363	1448
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	3:3:3:4:	4:1:1:1:	4:2:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3)	C(C[3x6]C[6,6,6a]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO){1|C<4>,4|C<3>}	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	3:4:3:4:	4:1:1:1:	4:4:4:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]C[5,6,6]N[5])(C[6,6]C[6]2O)(N[6,6]C[6]2)(CH3){1|C<4>,4|C<3>,7|H<1>}	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	108.9445	0.032	2	108.9445	0.001	2	108.9445	0.001	2	109.5693	1.172	3	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	3:4:3:4:	4:1:1:1:	4:4:4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3)	C(C[3x6]C[6,6,6a]C[6,6]N[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[3x6]C[6,6,6a]C[6,6]N[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	109.5693	1.172	3	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	3:4:3:4:	4:1:1:1:	5:4:2:	N[6,6]-3:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C[3x6]-4:O[6,6]-2:	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2C)(O[6,6]C[3x6])	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CH3){1|C<4>,3|H<1>,4|B<6>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2C)(O[6,6]C[3x6]){1|C<3>,1|C<5>,2|C<4>,5|B<6>,7|H<1>}	112.8653	0.474	3	112.8653	0.224	3	112.8653	0.224	3	112.8653	0.224	3	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,4|H<1>,7|C<4>}	112.0990	0.000	1	112.0990	0.000	1	111.9735	0.032	2	111.9735	0.032	2	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	N[6,6]-3:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(CH3){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	111.8480	0.000	1	111.8480	0.000	1	111.9735	0.032	2	111.9735	0.032	2	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)2(O)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)2(O){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	110.6890	0.208	2	110.6890	0.043	2	110.6890	0.043	2	110.6890	0.043	2	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:2:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-2:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|H<1>,1|N<3>,4|C<4>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	110.5554	0.502	12	110.4043	0.269	16	110.4043	0.269	16	110.4043	0.269	16	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:2:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-2:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	C(C[3x6]C[6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,1|O<1>,1|O<2>,4|H<1>}	109.9507	0.235	4	110.4043	0.269	16	110.4043	0.269	16	110.4043	0.269	16	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C(C[3x6]C[3x6]N[6,6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|C<3>,4|C<4>,8|H<1>}	C(C[3x6]C[3x6]N[6,6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	111.0025	2.095	2	110.7250	2.426	3	110.7250	2.426	3	110.2780	0.876	10	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	C(C[3x6]C[3x6]N[6,6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C(C[3x6]C[3x6]N[6,6]2)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	110.1700	0.000	1	110.7250	2.426	3	110.7250	2.426	3	110.2780	0.876	10	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	109.9843	0.433	4	109.9843	0.187	4	109.9968	0.141	5	110.2780	0.876	10	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[3x6]C[5,6,6]C[6,6]N[6,6])(F)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	110.0470	0.000	1	110.0470	0.000	1	109.9968	0.141	5	110.2780	0.876	10	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:4:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	110.2780	0.876	10	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:1:1:1:	4:4:4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:F-1:F-1:F-1:	C[6,6]-4:C[3x6]-4:C-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3)	C(C[3x6]C[6,6]2N[6,6])(F)3	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(CF3){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C(C[3x6]C[6,6]2N[6,6])(F)3	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	111.1680	0.000	1	111.1680	0.000	1	111.1680	0.000	1	110.2780	0.876	10	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:3:3:4:	4:4:1:1:	4:4:4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH)	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2H)(C[6,6]C[6]2)(N[6,6]C[6]2)(CCHH){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	C(C[3x6]C[6,6]2N[6,6])(CCCH)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3)	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)2(O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(CH3){1|N<3>,5|C<4>}	C(C[3x6]C[6,6]2N[6,6])(H)3	N[6,6](C[3x6]C[6,6]2C)2(O){2|C<4>,8|H<1>}	110.0130	0.231	2	110.0130	0.053	2	110.0130	0.053	2	110.0130	0.053	2	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:4:3:4:	4:1:1:1:	4:4:4:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	C(C[3x6]C[5,6,6]N[6,6]2)(H)3	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	111.0250	0.000	1	111.0250	0.000	1	111.0250	0.000	1	111.0250	0.000	1	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[3x6]	C	N[6,6]	4:4:3:4:	4:2:1:1:	4:2:3:	C[3,6,6]-4:C[6,6]-4:N[6,6]-3:C-4:	C[3x6]-4:O-2:H-1:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO)	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO)	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]HO)(N[6,6]O[6,6]C)(CHHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[3x6]C[3,6,6]C[6,6]N[6,6])(OH)(H)2	N[6,6](C[3x6]C[3,6,6]C[6,6]C)(O[6,6]C[3x6])(COO){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	113.5950	0.000	1	110.6513	1.450	43	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[4x6]	C	N[4x6]	3:3:4:4:	4:1:1:1:	4:4:2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<4>,1|N<3>,3|O<2>,4|H<1>}	110.1758	0.594	6	110.2708	0.313	20	110.2708	0.313	20	110.2708	0.313	20	110.4271	0.543	22	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[4x6]	C	N[4x6]	3:3:4:4:	4:1:1:1:	4:4:2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,5|C<4>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<4>,2|O<2>,4|H<1>}	110.3296	0.552	12	110.2708	0.313	20	110.2708	0.313	20	110.2708	0.313	20	110.4271	0.543	22	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[4x6]	C	N[4x6]	3:3:4:4:	4:1:1:1:	4:4:2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<4>,4|C<4>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	110.2035	0.858	2	110.2708	0.313	20	110.2708	0.313	20	110.2708	0.313	20	110.4271	0.543	22	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[4x6]	C	N[4x6]	4:3:4:4:	4:1:1:1:	4:4:2:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:H-1:H-1:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	C(C[4x6]C[6,6]N[4x6]2)(H)3	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	111.9900	0.266	2	111.9900	0.071	2	111.9900	0.071	2	111.9900	0.071	2	110.4271	0.543	22	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	3:3:4:1:	4:3:2:1:	4:4:4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	112.8730	0.000	1	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	3:3:4:1:	4:3:3:1:	4:4:4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(NC[6a]H)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	112.6865	1.713	2	112.6865	2.935	2	112.6865	2.935	2	112.6865	2.935	2	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	3:3:4:1:	4:3:3:3:	4:4:4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(NC[6a]H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	3:3:4:1:	4:4:1:1:	4:4:4:	N[3x6]-3:N[3x6]-3:C-4:H-1:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H)	C(C[6,6]N[3x6]2H)(CHHO)(H)2	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H){1|N<4>,1|P<4>,8|H<1>}	C(C[6,6]N[3x6]2H)(CHHO)(H)2	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	114.8235	3.458	2	114.8235	11.961	2	114.8235	11.961	2	114.8235	11.961	2	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	3:3:4:1:	4:4:2:1:	4:4:4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[5]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[5]C[5]2Fe)(OH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[5]C[5]2Fe)(OH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	3:3:4:4:	4:1:1:1:	4:4:4:	C[5,6,6]-3:N[3x6]-3:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.9945	0.586	2	109.9945	0.344	2	109.9945	0.344	2	109.9945	0.344	2	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(H)(O)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:2:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	111.3662	0.970	19	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:2:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OC)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	110.6170	0.728	3	110.6170	0.531	3	111.2885	1.107	16	111.3662	0.970	19	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:2:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	111.7667	0.865	7	111.8418	0.600	10	111.2885	1.107	16	111.3662	0.970	19	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:2:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	112.0170	0.626	3	111.8418	0.600	10	111.2885	1.107	16	111.3662	0.970	19	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:2:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	110.1157	0.894	3	110.1157	0.798	3	111.2885	1.107	16	111.3662	0.970	19	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:2:1:	4:4:4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	111.4150	0.000	1	111.4150	0.000	1	111.6080	0.074	2	111.3662	0.970	19	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:2:1:	4:4:4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)(OH)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	111.8010	0.000	1	111.8010	0.000	1	111.6080	0.074	2	111.3662	0.970	19	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:3:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NCH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	110.7295	0.932	4	110.7295	0.869	4	110.7060	0.957	6	110.9546	1.230	7	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:3:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	109.6170	0.000	1	109.6170	0.000	1	110.7060	0.957	6	110.9546	1.230	7	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:3:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NHS)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	111.7010	0.000	1	111.7010	0.000	1	110.7060	0.957	6	110.9546	1.230	7	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:3:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:N[5]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	110.9546	1.230	7	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:3:2:	4:4:4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	112.7660	0.000	1	112.7660	0.000	1	113.7137	0.735	3	113.7137	0.735	3	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:3:2:	4:4:4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	C(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2(OH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	114.1875	0.351	2	114.1875	0.124	2	113.7137	0.735	3	113.7137	0.735	3	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[3x6]	4:3:4:1:	4:3:4:1:	4:4:4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H){2|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(CC[6,6]C[6a]H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	111.4680	2.472	2	111.4680	6.111	2	111.4680	6.111	2	111.4680	6.111	2	111.6933	2.591	41	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[4x6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	111.6810	0.000	1	111.6235	0.011	4	111.6235	0.011	4	111.6235	0.011	4	111.4547	0.225	6	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[4x6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	111.6043	0.122	3	111.6235	0.011	4	111.6235	0.011	4	111.6235	0.011	4	111.4547	0.225	6	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[4x6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[4x6]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	111.4547	0.225	6	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[4x6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6,6]-4:N[4x6]-3:C-4:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	C(C[6,6]C[6,6]N[4x6]H)(H)3	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[6,6]N[4x6]H)(H)3	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,6|H<1>}	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	111.7290	0.000	1	111.4547	0.225	6	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	3:3:4:1:	4:3:1:1:	3:4:4:	N[6,6]-3:N[6,6]-3:C-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H)	C(C[6,6]N[6,6]2H)(COO)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H){4|C<3>,4|H<1>}	C(C[6,6]N[6,6]2H)(COO)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.5865	1.092	2	111.5865	1.194	2	111.5865	1.194	2	111.5865	1.194	2	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[5a,6]N[6,6]C[6])(CCHH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	3:4:3:4:	4:4:1:1:	4:4:3:	N[6,6]-3:C[6]-4:C[6]-3:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|Mo<7>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]N[6,6]C[6]2)(CH3)(H)2	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO){1|Mo<7>,1|C<3>,1|C<4>,1|O<1>,5|H<1>}	116.0820	0.000	1	116.0820	0.000	1	116.0820	0.000	1	116.0820	0.000	1	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:4:1:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3)	C(C[6,6]N[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)2(CH3){1|O<1>,2|C<4>,3|H<1>}	C(C[6,6]N[6,6]C[6]2)(H)3	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,3|C<4>,6|H<1>}	108.6225	0.052	2	108.6225	0.003	2	108.6225	0.003	2	108.6225	0.003	2	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	3:4:4:4:	4:2:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C[6]-4:C-4:	C[6,6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO)	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2	C[6,6](N[6,6]C[6]2)(C[6]O[6]HH)2(CHHO){2|Si<4>,4|H<1>}	C(C[6,6]N[6,6]C[6]2)(OH)(H)2	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2{2|O<2>,4|C<4>,4|H<1>}	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	3:4:4:4:	4:4:1:1:	4:4:1:	N[6,6]-3:P[6]-4:P[6]-4:C-4:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH)	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	N[6,6](C[6,6]P[6]2C)2(H)	C[6,6](N[6,6]C[6,6]H)(P[6]O[6]OO)2(CCHH){1|C<4>,2|P<4>}	C(C[6,6]N[6,6]P[6]2)(CH3)(H)2	N[6,6](C[6,6]P[6]2C)2(H){2|O<2>,8|O<1>}	103.7825	0.059	2	103.7825	0.003	2	103.7825	0.003	2	103.7825	0.003	2	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H)	C(C[6,6]C[3x6]N[6,6]H)(CCO)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H){2|C<4>,5|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(CCO)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	109.1645	0.874	8	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[5a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[5a]C[5a,6a]C[5a])(H)2	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>}	110.0720	0.236	2	110.0720	0.056	2	110.0720	0.056	2	109.1645	0.874	8	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	108.8165	0.918	4	108.8165	0.843	4	108.8165	0.843	4	109.1645	0.874	8	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:S-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H)	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(SC[6a]OO)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(SC[6a]OO){1|C<3>,1|C<4>,4|H<1>}	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	109.1645	0.874	8	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6,6]	4:3:4:4:	4:3:1:1:	4:4:4:	C[6,6]-4:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH)	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	C(C[6,6]C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	112.0240	0.000	1	109.5533	8.488	18	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6]	3:2:2:4:	4:1:1:1:	3:4:4:	N[6]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3)	C(C[6,6]O[6,6]N[6]O[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C[6,6](N[6]C[6,6a]C)(O[6,6]C[3x6])(O[6]C[6,6a])(CF3){5|C<3>}	C(C[6,6]O[6,6]N[6]O[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	113.1360	0.000	1	113.1360	0.000	1	113.1360	0.000	1	113.1360	0.000	1	110.1485	7.425	11	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6]	4:3:2:4:	4:1:1:1:	4:4:4:	C[6,6]-4:N[6]-3:O[6]-2:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3)	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6]C)(O[6]C[6])(CH3){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[6]O[6])(H)3	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	111.3335	0.489	2	111.3335	0.239	2	111.3335	0.239	2	111.3335	0.239	2	110.1485	7.425	11	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3)	C(C[6,6]C[3x6]N[6]2)(H)3	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3){4|C<4>,4|H<1>}	C(C[6,6]C[3x6]N[6]2)(H)3	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,4|H<1>}	108.1280	0.716	2	108.1280	0.512	2	108.1280	0.512	2	107.7625	0.385	4	110.1485	7.425	11	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	107.1640	0.000	1	107.3970	0.109	2	107.3970	0.109	2	107.7625	0.385	4	110.1485	7.425	11	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[6,6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6](C[5,6,6]N[5,6,6]C[5,6]C)(C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6,6]C[5,6,6]C[6,6]N[6])(H)3	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	107.6300	0.000	1	107.3970	0.109	2	107.3970	0.109	2	107.7625	0.385	4	110.1485	7.425	11	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6]	4:3:3:4:	4:1:1:1:	4:4:4:	C[4,6,6]-4:C[6]-3:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3)	C(C[6,6]C[4,6,6]C[6]N[6])(H)3	N[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[4,6,6]C[4,6]2H)(C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[4,6,6]C[6]N[6])(H)3	N[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	114.5980	0.000	1	110.1485	7.425	11	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:1:	C[6,6]-4:N[6]-3:C[6]-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6]C[5a,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	110.1485	7.425	11	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6,6]	C	N[6]	4:4:3:4:	4:1:1:1:	4:4:4:	C[6,6]-4:C[6]-4:N[6]-3:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)(CH3){3|C<4>,7|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH){3|C<4>,5|H<1>}	111.8185	0.023	2	111.8185	0.001	2	111.8185	0.001	2	111.8185	0.001	2	110.1485	7.425	11	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	C(C[6]C[6,6a]N[6,6]H)(H)3	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]N[6,6]H)(H)3	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:3:4:1:	4:2:1:1:	4:4:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6a]N[6,6]H)(OC)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:3:4:1:	4:3:1:1:	4:3:4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:3:4:1:	4:4:1:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6,6]H)(CHHO)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	113.3053	0.385	3	113.3053	0.149	3	113.3053	0.149	3	113.3053	0.149	3	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.8200	0.000	1	111.8200	0.000	1	114.3356	2.008	5	114.3356	2.008	5	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	115.0150	0.213	3	114.9645	0.040	4	114.3356	2.008	5	114.3356	2.008	5	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	C(C[6]N[6,6]C[6]H)(H)3	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	114.8130	0.000	1	114.9645	0.040	4	114.3356	2.008	5	114.3356	2.008	5	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:2:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]N[6,6]C[6]H)(OH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	113.2157	1.627	4	113.2157	2.646	4	112.1409	3.156	7	112.1409	3.156	7	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:2:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	C(C[6]N[6,6]C[6]H)(OC)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]H)(OC)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	110.7077	0.326	3	110.7077	0.107	3	112.1409	3.156	7	112.1409	3.156	7	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:3:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,7|H<1>}	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	113.2408	8.133	5	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:3:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	110.1505	0.081	2	110.1505	0.007	2	112.8895	10.021	4	113.2408	8.133	5	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:3:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	115.6285	0.220	2	115.6285	0.048	2	112.8895	10.021	4	113.2408	8.133	5	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:1:	4:4:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]H)(CCHH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	111.8590	0.000	1	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:2:	4:1:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN)	C(C[6]N[6,6]C[6]C)(H)3	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN){3|C<4>,5|H<1>}	C(C[6]N[6,6]C[6]C)(H)3	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,6|H<1>}	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]N[6,6]C[6]C)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<5>,1|N<4>,2|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]C)(H)3	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH){1|Cu<6>,2|C<4>,2|N<4>,5|H<1>}	109.2045	2.863	2	109.2045	8.197	2	109.2045	8.197	2	109.2045	8.197	2	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6,6]-4:N[6,6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H)	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6]N[6,6]H)(OH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.1630	0.291	2	112.1630	0.085	2	112.1630	0.085	2	112.1630	0.085	2	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6,6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[5,6]-4:N[6,6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	C(C[6]C[5,6]N[6,6]H)(CCHH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	112.7058	4.626	30	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	2:3:4:1:	4:1:1:1:	4:4:4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]N[6]O[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	115.8100	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	2:3:4:1:	4:4:1:1:	4:4:1:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H)	C(C[6]N[6]O[6]H)(CHHS)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]N[6]O[6]H)(CHHS)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H){4|C<3>}	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	2:4:3:4:	4:1:1:1:	4:4:4:	O[6]-2:C[6]-4:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3)	C(C[6]C[6]N[6]O[6])(H)3	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[6]C[6]2)(CH3){2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6]N[6]O[6])(H)3	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2{1|C<3>,2|C<4>,6|H<1>}	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:1:	4:1:1:1:	4:4:1:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H)	C(C[6]N[6]O[6]H)(H)3	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H)	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H){2|H<1>,3|C<4>}	C(C[6]N[6]O[6]H)(H)3	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:1:	4:2:1:1:	4:4:1:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H)	C(C[6]N[6]O[6]H)(OC)(H)2	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H){2|H<1>,3|C<4>}	C(C[6]N[6]O[6]H)(OC)(H)2	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,2|C<4>}	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	109.7680	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:4:1:	4:4:1:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H)	C(C[6]N[6]O[6]H)(CH3)2(H)	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]N[6]O[6]H)(CH3)2(H)	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H){1|N<2>,1|N<3>,3|C<4>}	112.2125	0.455	2	112.2125	0.207	2	112.2125	0.207	2	112.2125	0.207	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:1:	4:4:4:4:	4:4:3:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:C-3:	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H)	C(C[6]N[6]2H)(CH3)3	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]N[6]2H)(CH3)3	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	114.1610	0.000	1	114.1610	0.000	1	114.1610	0.000	1	114.1610	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:2:	4:1:1:1:	3:4:4:	N[6]-3:O[6]-2:C-4:N-2:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC)	C(C[6]N[6]O[6]N)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC){1|C<4>,3|C<3>}	C(C[6]N[6]O[6]N)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:3:	4:1:1:1:	4:3:4:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-4:F-1:F-1:F-1:	C[3,6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C(C[6]N[6]2C)(F)3	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C(C[6]N[6]2C)(F)3	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:1:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H)	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]N[6]O[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	111.0915	1.844	4	111.0915	3.400	4	111.0915	3.400	4	111.0915	3.400	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	4:3:1:	N[6]-3:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2	C(C[6]N[6]S[6]C)(H)3	N[6](C[6]S[6]CC)(C[6]C[6]O)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]N[6]S[6]C)(H)3	N[6](C[6]S[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>}	109.7795	2.157	2	109.7795	4.654	2	109.7795	4.654	2	109.7795	4.654	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:4:	4:1:1:1:	4:4:4:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]N[6]O[6]C)(H)3	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	113.2070	4.161	2	113.2070	17.311	2	113.2070	17.311	2	113.2070	17.311	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:2:4:4:	4:4:1:1:	3:4:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	109.2140	0.513	6	109.2140	0.263	6	109.2140	0.263	6	109.2140	0.263	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3){3|H<1>,6|C<3>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	108.4203	1.728	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	C[5a]-3:N[6]-3:C[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3)	C(C[6]C[5a]C[6]N[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3){2|H<1>,4|C<3>}	C(C[6]C[5a]C[6]N[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	108.4203	1.728	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C(C[6]N[5a,6]C[6a]N[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C(C[6]N[5a,6]C[6a]N[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	108.4203	1.728	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	109.9440	0.000	1	108.6185	3.514	2	108.6185	3.514	2	108.4203	1.728	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){2|H<1>,5|C<3>}	107.2930	0.000	1	108.6185	3.514	2	108.6185	3.514	2	108.4203	1.728	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C(C[6]C[6a]N[6]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]N[6]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	109.0740	0.939	2	109.0740	0.882	2	109.0740	0.882	2	108.4203	1.728	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:1:	C[5a,6]-3:C[5a]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3)	C(C[6]C[5a,6]C[5a]N[6])(F)3	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[5a]N[6])(F)3	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	105.1040	0.000	1	105.1040	0.000	1	105.1040	0.000	1	107.4686	1.217	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C(C[6]C[6a]N[6]2)(F)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6a]N[6]2)(F)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	106.2885	0.596	2	106.2885	0.355	2	106.2885	0.355	2	107.4686	1.217	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C(C[6]C[6a]N[6]2)(H)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6a]N[6]2)(H)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	107.9411	0.636	10	107.9411	0.405	10	107.9411	0.405	10	107.4686	1.217	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	109.0620	0.000	1	109.4690	0.331	2	110.6380	5.542	5	110.6380	5.542	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	109.8760	0.000	1	109.4690	0.331	2	110.6380	5.542	5	110.6380	5.542	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<3>,2|H<1>,3|C<3>}	109.7565	0.856	2	109.7565	0.733	2	110.6380	5.542	5	110.6380	5.542	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]N[6])(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	114.7390	0.000	1	114.7390	0.000	1	110.6380	5.542	5	110.6380	5.542	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(CC[6a]2H)(H)2	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	105.8940	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:4:1:1:	4:4:4:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C(C[6]C[6]2N[6])(CH3)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2N[6])(CH3)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2{1|C<4>,1|N<2>,1|N<3>,2|O<1>,4|H<1>}	112.1850	0.000	1	112.4980	0.084	4	112.4980	0.084	4	112.4980	0.084	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:3:4:	4:4:1:1:	4:4:4:	C[6]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH)	C(C[6]C[6]2N[6])(CH3)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2	C[6](C[6]N[6]O)2(N[6]C[6]2)(CCHH){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]2N[6])(CH3)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	112.6023	0.247	3	112.4980	0.084	4	112.4980	0.084	4	112.4980	0.084	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:1:1:	4:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H){2|C<3>,2|O<1>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H){1|H<1>,2|C<3>}	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:3:1:	4:4:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6]S)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(COO)(H)	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO)	C[6](N[6]C[6]S)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(COO)(H)	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	109.1810	1.158	2	109.1810	1.342	2	109.1810	1.342	2	109.1810	1.342	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	3:4:4:1:	3:3:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C-4:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CH3)(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.3330	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){3|H<1>,5|C<3>}	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO){1|H<1>,4|C<3>}	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	111.3067	4.871	10	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	113.0640	0.229	4	113.0640	0.052	4	113.0640	0.052	4	111.3067	4.871	10	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|H<1>,4|C<3>}	112.8895	0.170	2	112.8895	0.029	2	112.8895	0.029	2	111.3067	4.871	10	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	108.7230	0.381	3	108.7230	0.145	3	108.7230	0.145	3	111.3067	4.871	10	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:2:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:O-2:	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	C(C[6]N[6]2H)(F)3	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	C(C[6]N[6]2H)(F)3	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	C(C[6]C[5a,6]N[6]H)(Cl)3	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	C(C[6]C[5a,6]N[6]H)(Cl)3	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	C(C[6]C[6,6a]N[6]H)(Cl)3	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(Cl)3	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.6670	0.000	1	112.6670	0.000	1	112.6670	0.000	1	111.3492	3.340	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO){3|C<3>}	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	111.3492	3.340	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	110.2820	0.000	1	111.6960	3.999	2	111.6960	3.999	2	111.3492	3.340	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	113.1100	0.000	1	111.6960	3.999	2	111.6960	3.999	2	111.3492	3.340	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H)	C(C[6]C[5a,6]N[6]H)(Cl)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(Cl)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	109.0440	4.165	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H)	C(C[6]C[5a,6]N[6]H)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	110.2450	0.000	1	110.2450	0.000	1	110.2450	0.000	1	109.0440	4.165	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:1:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H)	C(C[6]C[6,6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	109.5720	0.000	1	109.5720	0.000	1	109.5720	0.000	1	109.0440	4.165	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|O<2>,4|C<3>}	107.5760	0.000	1	107.5760	0.000	1	107.5760	0.000	1	109.0440	4.165	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:Cl-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H)	C(C[6]N[6]2H)(Cl)2(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(Cl)2(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H){1|H<1>,2|C<3>}	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	109.0440	4.165	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6]-4:H-1:	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	C(C[6]N[6]2H)(F)3	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	C(C[6]N[6]2H)(F)3	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	106.5710	0.000	1	106.5710	0.000	1	106.5710	0.000	1	109.0440	4.165	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	114.6675	0.176	2	114.6675	0.031	2	114.6675	0.031	2	112.0963	3.120	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	112.0963	3.120	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.0963	3.120	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	109.8520	0.000	1	109.8520	0.000	1	111.0140	1.087	4	112.0963	3.120	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,1|S<3>,2|H<1>}	111.8550	0.474	2	111.8550	0.224	2	111.0140	1.087	4	112.0963	3.120	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	110.4940	0.000	1	110.4940	0.000	1	111.0140	1.087	4	112.0963	3.120	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	C(C[6]N[6]2H)(Cl)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(Cl)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	112.0963	3.120	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	110.1185	3.470	2	110.1185	12.039	2	110.1185	12.039	2	110.1853	6.033	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:S[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H)	C(C[6]C[6,6a]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	110.1853	6.033	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OSi)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OSi)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	111.3965	0.354	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:2:1:1:	4:4:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:S-2:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H)	C(C[6]N[6]2H)(SC)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H){2|C<3>,2|O<1>}	C(C[6]N[6]2H)(SC)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.3965	0.354	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.0090	0.000	1	112.0090	0.000	1	112.0090	0.000	1	112.0090	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.2290	0.000	1	111.5505	0.921	2	112.4767	3.034	3	112.4767	3.034	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	110.8720	0.000	1	111.5505	0.921	2	112.4767	3.034	3	112.4767	3.034	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H){3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	114.3290	0.000	1	114.3290	0.000	1	112.4767	3.034	3	112.4767	3.034	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	110.2160	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	112.1300	3.485	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	113.0865	0.552	2	113.0865	0.305	2	113.0493	0.157	3	112.1300	3.485	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	3:4:4:	N[6]-3:B[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]B[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	112.9750	0.000	1	112.9750	0.000	1	113.0493	0.157	3	112.1300	3.485	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:2:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3){1|H<1>,2|C<3>}	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>}	113.8295	1.340	2	113.8295	1.796	2	113.8295	1.796	2	113.8295	1.796	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	110.2470	0.000	1	110.2470	0.000	1	110.8155	0.646	2	110.8155	0.646	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	111.3840	0.000	1	111.3840	0.000	1	110.8155	0.646	2	110.8155	0.646	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:S[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.2768	0.635	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	111.2768	0.635	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	111.3100	0.000	1	111.3100	0.000	1	111.7293	0.262	3	111.2768	0.635	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,1|O<2>}	111.9390	0.511	2	111.9390	0.261	2	111.7293	0.262	3	111.2768	0.635	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:2:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:S-4:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(H)2	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6]){3|C<3>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O){2|C<3>,2|H<1>}	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCO)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCO)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(COO)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(COO)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	109.9060	0.000	1	109.9060	0.000	1	109.9060	0.000	1	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CCO)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	115.3800	0.000	1	115.3800	0.000	1	115.3800	0.000	1	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	112.0820	0.496	2	112.0820	0.246	2	111.5846	2.149	7	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	111.1395	0.316	2	111.3856	2.989	5	111.5846	2.149	7	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	111.5497	2.414	3	111.3856	2.989	5	111.5846	2.149	7	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	111.7500	0.000	1	111.7500	0.000	1	111.8875	0.038	2	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.0250	0.000	1	112.0250	0.000	1	111.8875	0.038	2	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	109.6643	0.561	3	109.6643	0.314	3	110.3179	0.675	7	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	110.8080	0.627	4	110.8080	0.393	4	110.3179	0.675	7	111.1036	2.611	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:3:1:	3:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CC[6a]O)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	107.1140	0.000	1	107.1140	0.000	1	107.1140	0.000	1	109.7930	14.354	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:3:1:	3:4:4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:S-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	C(C[6]C[6]N[6]H)(SCo2)(CCS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(SCo2)(CCS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	109.7930	14.354	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:3:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:3:1:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H)	C(C[6]C[6,6a]N[6]H)(NC[6a]H)(COO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6a]H)(COO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH){2|C<3>,2|H<1>}	107.5670	0.000	1	107.5670	0.000	1	107.5670	0.000	1	107.5670	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:3:3:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(COO)2(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(COO)2(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,2|C<3>}	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	3:4:2:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	116.0330	0.000	1	116.0330	0.000	1	116.0330	0.000	1	116.0330	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:2:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHN)(H)2	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H){1|Br<1>,1|C<4>}	C(C[6]C[6]N[6]H)(CCHN)(H)2	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|N<3>,2|H<1>}	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.5420	0.000	1	112.5420	0.000	1	112.5420	0.000	1	110.2230	10.756	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHO)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CHHO)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	110.2230	10.756	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	111.5320	0.000	1	111.1665	0.267	2	110.8538	0.445	4	110.8538	0.445	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	110.8010	0.000	1	111.1665	0.267	2	110.8538	0.445	4	110.8538	0.445	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>}	109.9590	0.000	1	109.9590	0.000	1	110.8538	0.445	4	110.8538	0.445	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHS)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(CHHS)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>}	111.1230	0.000	1	111.1230	0.000	1	110.8538	0.445	4	110.8538	0.445	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]H)(CC3)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	110.4230	0.000	1	110.4230	0.000	1	112.6417	15.029	3	110.8511	5.830	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	110.3840	0.000	1	110.3840	0.000	1	112.6417	15.029	3	110.8511	5.830	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	117.1180	0.000	1	117.1180	0.000	1	112.6417	15.029	3	110.8511	5.830	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HO)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|H<1>}	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	110.8511	5.830	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	110.8511	5.830	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	109.0060	0.468	4	108.9432	0.184	5	109.8364	2.450	7	110.8511	5.830	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,3|C<4>}	108.6920	0.000	1	108.9432	0.184	5	109.8364	2.450	7	110.8511	5.830	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	112.0695	0.042	2	112.0695	0.002	2	109.8364	2.450	7	110.8511	5.830	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:2:1:	4:4:2:	C[6]-3:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:C-4:O[6]-2:	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	111.9070	0.277	2	111.9070	0.077	2	111.9070	0.077	2	111.9070	0.077	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:3:1:	4:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CCHH)(CCO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:3:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a]HH)(CCO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	115.2450	0.000	1	115.2450	0.000	1	115.2450	0.000	1	115.2450	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]N[6]2H)(CH3)2(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){3|C<3>}	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	112.7670	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:2:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:3:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){1|H<1>,1|S<2>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CH3)2(H)	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO){2|C<3>}	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	111.7780	0.000	1	111.7780	0.000	1	112.0125	0.110	2	112.0125	0.110	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	112.2470	0.000	1	112.2470	0.000	1	112.0125	0.110	2	112.0125	0.110	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:1:	4:4:4:4:	4:4:3:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|H<1>,4|C<3>}	109.3370	0.000	1	108.8803	0.215	3	108.8803	0.215	3	108.8803	0.215	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	108.6520	0.342	2	108.8803	0.215	3	108.8803	0.215	3	108.8803	0.215	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	3:4:4:	N[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:S[6]-4:	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO)	C(C[6]N[6]2C)(H)3	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO)	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO){3|C<3>,3|H<1>}	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	111.8890	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO)	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	108.9788	4.291	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,1|O<2>}	109.1060	0.161	2	109.1060	0.026	2	109.1060	0.026	2	108.9788	4.291	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:4:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	112.8920	0.000	1	112.8920	0.000	1	112.8920	0.000	1	108.9788	4.291	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:4:1:	N[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6]H)2(CH3)(CCN)	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](N[6]C[6]H)2(CH3)(CCN){1|C<4>,4|H<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H){1|H<1>,3|C<4>}	107.5190	0.513	2	107.5190	0.264	2	107.5190	0.264	2	108.9788	4.291	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	111.6515	0.233	2	111.6515	0.054	2	111.6515	0.054	2	111.6515	0.054	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:1:1:1:	4:4:4:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>}	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:2:1:1:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:S-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO)	C(C[6]C[6,6a]N[6]C)(SC[6])(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(SC[6])(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:3:	4:4:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO)	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H){3|C<3>}	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	104.8320	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|N<2>,4|C<3>}	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	109.7422	1.792	6	109.7422	3.210	6	110.0771	3.174	10	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{2|C<3>,2|N<2>}	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	110.9205	1.818	2	110.5795	3.612	4	110.0771	3.174	10	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{4|C<3>}	C(C[6]N[5a,6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	110.2385	2.658	2	110.5795	3.612	4	110.0771	3.174	10	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	109.1805	2.061	2	109.1805	4.249	2	109.1805	4.249	2	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3){1|N<2>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	105.7200	0.000	1	105.7200	0.000	1	105.7200	0.000	1	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	110.9425	1.923	2	110.9425	3.696	2	110.0460	3.713	12	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)2(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)2(CH3)2{3|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	109.8708	2.001	6	109.8708	4.006	6	110.0460	3.713	12	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	109.2120	3.328	2	109.8605	5.064	4	110.0460	3.713	12	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	110.5090	1.561	2	109.8605	5.064	4	110.0460	3.713	12	109.8162	3.857	25	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:2:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH)	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH){1|H<1>,2|C<3>}	110.2710	0.539	2	110.2710	0.290	2	110.2710	0.290	2	110.2710	0.290	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C(C[6]N[6]2C)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	110.9610	0.689	2	110.9610	0.474	2	110.9610	0.474	2	110.9610	0.474	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:2:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(N[6]C[6])(H)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	C(C[6]N[6]2C)(H)3	N[6](C[6]N[6]CC)(N[6]C[6])(H){1|O<1>,2|C<3>}	111.0845	4.943	2	111.0845	24.437	2	111.0845	24.437	2	111.0845	24.437	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6,6a]N[6]C)(F)3	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(F)3	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	106.0160	0.000	1	106.0160	0.000	1	106.0160	0.000	1	106.0160	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3)	C(C[6]C[5a,6]N[6]C)(F)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(F)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	106.4790	0.000	1	106.4790	0.000	1	106.4790	0.000	1	106.1630	0.200	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:4:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6]N[6]C)(F)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(F)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	105.8470	0.000	1	105.8470	0.000	1	105.8470	0.000	1	106.1630	0.200	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3)	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(H)3	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO){1|C<3>,1|N<3>,2|H<1>}	111.6150	0.000	1	111.6150	0.000	1	111.6150	0.000	1	111.3680	0.122	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C(C[6]C[6,6a]N[6]C)(F)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(F)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	111.3680	0.122	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:2:1:1:	4:3:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N[6]-3:H-1:	C[6](N[6]N[6]H)2(CHHO)2	C(C[6]N[6]2C)(OH)(H)2	N[6](C[6]N[6]CC)(N[6]C[6]H)(H)	C[6](N[6]N[6]H)2(CHHO)2{1|C<4>,2|H<1>}	C(C[6]N[6]2C)(OH)(H)2	N[6](C[6]N[6]CC)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	108.4453	1.657	3	108.4453	2.746	3	108.4453	2.746	3	108.4453	2.746	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:2:1:1:	4:3:2:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	C(C[6]C[6,6a]N[6]C)(CN)(H)2	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[6]C)(CN)(H)2	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	108.7660	0.137	2	108.7660	0.019	2	108.7660	0.019	2	108.7660	0.019	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:3:1:1:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:S-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3){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	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:3:3:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:3:3:1:	4:4:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]CH)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(CCH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	115.8800	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	109.0878	1.681	12	109.0878	2.827	12	109.0878	2.827	12	109.0878	2.827	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C(C[6]N[6]2C)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C(C[6]N[6]2C)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	109.7740	0.197	2	109.7740	0.039	2	109.6925	2.096	4	109.6925	2.096	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)2	C(C[6]N[6]2C)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	C(C[6]N[6]2C)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	109.6110	2.495	2	109.6110	6.223	2	109.6925	2.096	4	109.6925	2.096	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:3:2:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	109.7505	0.180	2	109.7505	0.033	2	109.7505	0.033	2	109.7505	0.033	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3)	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(CCHH)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3)	C(C[6]C[5a,6]N[6]C)(SC[6a]OO)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(SC[6a]OO)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO){1|C<3>,1|N<3>,2|H<1>}	112.5690	0.000	1	112.5690	0.000	1	112.5690	0.000	1	112.5690	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3)	C(C[6]C[5a]C[6]N[6])(H)3	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C(C[6]C[5a]C[6]N[6])(H)3	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<2>,4|H<1>}	109.0670	0.020	2	109.0670	0.000	2	109.0670	0.000	2	110.4625	2.616	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3)	C(C[6]C[6a]C[6]N[6])(F)3	N[6](C[6]C[6a]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C(C[6]C[6a]C[6]N[6])(F)3	N[6](C[6]C[6a]C[6]C)2(H){1|C<4>,4|C<3>,4|F<1>}	111.8580	0.239	2	111.8580	0.057	2	111.8580	0.057	2	110.4625	2.616	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	108.9480	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]CH)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|N<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:F-1:F-1:F-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	C(C[6]C[6]N[6]H)(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.5660	0.310	2	108.5660	0.096	2	108.5660	0.096	2	108.5660	0.096	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[3x6]C[3x6]2C[6])(C[6]C[6]CH)(H)	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H){3|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[3x6]C[3x6]2C[6])(C[6]C[6]CH)(H){1|O<2>,4|C<4>,6|H<1>}	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.7207	0.472	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[6]-4:H-1:	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H)	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.7207	0.472	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,5|H<1>}	109.8043	1.032	3	109.8043	1.064	3	109.8440	0.716	4	109.7207	0.472	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:1:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	109.9630	0.000	1	109.9630	0.000	1	109.8440	0.716	4	109.7207	0.472	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:3:1:1:	3:4:2:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	110.0230	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:2:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CC[6a]HO)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){4|C<4>,7|H<1>}	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:1:	4:4:4:1:	4:4:4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.7905	1.076	2	109.7905	1.157	2	109.7905	1.157	2	109.7905	1.157	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:3:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2{2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	110.0575	2.138	2	110.0575	4.569	2	110.0575	4.569	2	108.6605	7.032	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	108.9895	2.737	2	108.9895	7.492	2	108.9895	7.492	2	108.6605	7.032	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2{1|C<3>,1|N<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	106.9345	3.608	2	106.9345	13.020	2	106.9345	13.020	2	108.6605	7.032	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<3>,1|C<4>,2|C<3>,5|H<1>}	112.3879	4.516	8	112.1837	16.317	20	112.1837	16.317	20	112.1837	16.317	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	112.1605	4.525	4	112.1837	16.317	20	112.1837	16.317	20	112.1837	16.317	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|I<1>,2|C<3>,5|H<1>}	112.3615	4.112	4	112.1837	16.317	20	112.1837	16.317	20	112.1837	16.317	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.6207	4.219	4	112.1837	16.317	20	112.1837	16.317	20	112.1837	16.317	20	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	B[3,3]-4:C[6]-4:C[6]-4:	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](B[3,3]Si[3,3]O[3]2)(C[6]C[6]CC)2	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2{1|Si<5>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](B[3,3]Si[3,3]O[3]2)(C[6]C[6]CC)2{2|Si<4>,1|C<4>,4|H<1>}	109.9412	0.312	4	109.9412	0.098	4	109.9412	0.098	4	109.9412	0.098	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:2:3:4:	4:1:1:1:	4:4:4:	C[6]-4:O[6]-2:N[6]-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3)	C(C[6]C[6]N[6]O[6])(H)3	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(N[6]C[6]2)(CH3){1|C<3>,4|H<1>,5|C<4>}	C(C[6]C[6]N[6]O[6])(H)3	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2{1|C<3>,2|C<4>,6|H<1>}	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:1:1:	4:4:1:	C[6,6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	N[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6,6]N[6]H)(H)2	N[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	108.6950	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	113.4720	0.000	1	113.4720	0.000	1	113.9722	0.197	5	113.9722	0.197	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H){2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	114.0973	0.398	4	114.0973	0.158	4	113.9722	0.197	5	113.9722	0.197	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	3:4:2:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	107.8575	0.310	2	107.8575	0.096	2	107.8575	0.096	2	107.8575	0.096	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	109.3030	0.718	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6]H)(H)3	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	109.3030	0.718	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	110.0116	1.440	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	110.0116	1.440	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H){2|C<3>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.4360	1.438	3	110.4360	2.067	3	110.4360	2.067	3	110.0116	1.440	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:2:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(O[6]C[6])(CH3)	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(O[6]C[6])(CH3){1|C<4>,1|N<3>,3|H<1>}	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	115.3220	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	109.7450	0.000	1	109.7450	0.000	1	110.6227	0.823	7	110.6227	0.823	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	111.6780	0.783	2	111.6780	0.614	2	110.6227	0.823	7	110.6227	0.823	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	110.2925	0.134	2	110.3145	0.315	4	110.6227	0.823	7	110.6227	0.823	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	110.3365	0.962	2	110.3145	0.315	4	110.6227	0.823	7	110.6227	0.823	7	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H)	C(C[6]C[5,5,6]N[6]H)(H)3	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5,5,6]N[6]H)(H)3	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	108.9550	0.000	1	108.9550	0.000	1	109.8057	0.390	19	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H){2|H<1>,3|C<4>}	109.0760	0.000	1	109.0760	0.000	1	109.8057	0.390	19	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	110.5925	0.412	2	110.5925	0.170	2	109.8057	0.390	19	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>}	109.7650	0.000	1	109.7650	0.000	1	109.8057	0.390	19	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,4|H<1>}	110.3030	0.000	1	110.2600	0.004	2	109.8057	0.390	19	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,4|H<1>}	110.2170	0.000	1	110.2600	0.004	2	109.8057	0.390	19	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(H){1|N<3>,4|H<1>}	109.7339	0.594	12	109.7339	0.353	12	109.8057	0.390	19	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:1:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H)	C(C[6]N[6]P[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H){2|C<3>,3|C<4>}	C(C[6]N[6]P[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	109.7393	0.440	3	109.7393	0.194	3	109.7393	0.194	3	109.8444	0.390	23	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O[6]-2:	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.4310	0.000	1	111.4530	0.001	2	111.4530	0.001	2	111.6287	0.093	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:O[6]-2:	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	111.4750	0.000	1	111.4530	0.001	2	111.4530	0.001	2	111.6287	0.093	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H){1|C<4>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.6287	0.093	3	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	114.9510	0.000	1	114.9510	0.000	1	114.7205	2.778	8	114.2934	4.072	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CC[6a]O){1|C<4>,4|H<1>}	111.6870	0.000	1	111.6870	0.000	1	114.7205	2.778	8	114.2934	4.072	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	115.1877	1.333	6	115.1877	1.776	6	114.7205	2.778	8	114.2934	4.072	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH)	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH){1|N<3>,4|H<1>}	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	114.2934	4.072	9	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6,6]N[6]H)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<4>,6|H<1>}	C(C[6]C[6,6]N[6]H)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3){2|H<1>,3|C<4>}	112.4315	0.177	2	112.4315	0.032	2	112.4315	0.032	2	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	C(C[6]C[6]N[6]H)(Br)(H)2	N[6](C[6]C[6]CH)2(CC3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H){1|H<1>,2|C<4>}	C(C[6]C[6]N[6]H)(Br)(H)2	N[6](C[6]C[6]CH)2(CC3){1|O<2>,4|H<1>}	107.6135	0.775	4	107.6135	0.600	4	107.6135	0.600	4	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(Cl)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	112.5975	0.863	2	112.5975	0.745	2	112.9280	0.700	3	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	C(C[6]C[6]N[6]H)(Cl)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(Cl)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	113.5890	0.000	1	113.5890	0.000	1	112.9280	0.700	3	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	114.8150	0.000	1	114.8150	0.000	1	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	113.7330	0.238	2	113.7330	0.056	2	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	112.8200	0.000	1	112.8200	0.000	1	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,4|H<1>}	115.8980	0.000	1	115.8980	0.000	1	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	111.6130	0.000	1	111.6130	0.000	1	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CFeNN)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)2(CFeNN){1|C<4>,4|H<1>}	114.0033	1.667	4	114.0033	2.777	4	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	111.2980	0.000	1	111.2980	0.000	1	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,2|H<1>,2|O<2>}	115.9450	0.000	1	115.9450	0.000	1	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	112.7780	0.000	1	112.7780	0.000	1	113.7420	2.633	13	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	116.2780	0.000	1	116.2780	0.000	1	114.5400	6.041	2	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	112.8020	0.000	1	112.8020	0.000	1	114.5400	6.041	2	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO){1|N<3>,2|H<1>,3|C<3>}	110.9040	0.000	1	110.9040	0.000	1	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<4>}	113.3880	0.000	1	113.3880	0.000	1	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.2490	0.008	2	110.2490	0.000	2	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	110.0830	0.000	1	111.2737	5.381	3	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	111.8690	2.939	2	111.2737	5.381	3	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	110.6390	0.000	1	110.6390	0.000	1	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.1050	0.000	1	110.1050	0.000	1	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	112.3240	0.000	1	112.3820	0.007	2	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	112.4400	0.000	1	112.3820	0.007	2	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	110.6830	0.000	1	110.6830	0.000	1	111.2335	2.003	12	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3)	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C(C[6]C[6]N[6]H)(H)3	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3){2|C<4>,2|H<1>}	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3)	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H){2|O<1>,4|C<3>}	C(C[6]C[6]N[6]H)(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>}	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	112.0747	5.436	39	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(OH)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	112.7680	0.000	1	112.7680	0.000	1	108.3704	6.197	5	108.3704	6.197	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	C(C[6]C[5,6]N[6]H)(OH)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(OH)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	107.2710	0.453	4	107.2710	0.205	4	108.3704	6.197	5	108.3704	6.197	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	108.7160	0.000	1	108.7160	0.000	1	109.8157	5.705	9	109.4046	5.673	11	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	110.1995	1.152	2	110.1995	1.327	2	109.8157	5.705	9	109.4046	5.673	11	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)2(H){2|H<1>,3|C<4>}	109.4580	0.000	1	109.4580	0.000	1	109.8157	5.705	9	109.4046	5.673	11	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	107.4580	0.000	1	107.4580	0.000	1	109.8157	5.705	9	109.4046	5.673	11	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	109.0120	0.320	2	109.0120	0.102	2	109.8157	5.705	9	109.4046	5.673	11	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	115.6710	0.000	1	115.6710	0.000	1	109.8157	5.705	9	109.4046	5.673	11	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	108.6150	0.000	1	108.6150	0.000	1	109.8157	5.705	9	109.4046	5.673	11	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:S[6]-4:H-1:	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H)	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H){1|O<2>,2|H<1>,2|O<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H){1|C<4>,1|H<1>,1|O<2>}	107.5550	1.653	2	107.5550	2.733	2	107.5550	2.733	2	109.4046	5.673	11	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){1|C<3>,1|O<2>,2|H<1>}	111.7135	0.040	2	111.7135	0.002	2	111.7135	0.002	2	111.7135	0.002	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CN)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CN)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	115.0620	0.000	1	115.0620	0.000	1	111.9992	3.551	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|O<2>}	112.1000	0.000	1	112.1000	0.000	1	111.9992	3.551	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	111.3595	2.396	2	111.3595	5.743	2	111.9992	3.551	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OSi)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OSi)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	110.9420	0.000	1	110.9420	0.000	1	111.9992	3.551	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	C(C[6]C[6]N[6]H)(OSi)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OSi)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	111.1720	0.000	1	111.1720	0.000	1	111.9992	3.551	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OS)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(OS)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	109.7080	0.000	1	109.7080	0.000	1	111.6180	6.244	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OS)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OS)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	112.1850	0.000	1	112.1850	0.000	1	111.6180	6.244	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OS)(H)2	N[6](C[6]C[6]CH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OS)(H)2	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<4>,4|H<1>}	108.6190	0.000	1	108.6190	0.000	1	111.6180	6.244	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>}	110.2400	0.000	1	110.2400	0.000	1	111.6180	6.244	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:2:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3)	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6]H)(OH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3){1|O<2>,2|C<4>,3|C<3>}	114.4780	0.000	2	114.4780	0.000	2	111.6180	6.244	6	111.8121	4.118	13	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:3:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|H<1>}	110.7150	0.049	2	110.7150	0.002	2	110.7150	0.002	2	110.7150	0.002	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	108.7260	0.505	2	108.7260	0.255	2	109.5124	0.867	5	109.6068	0.747	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]CH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	109.3340	0.000	1	109.3340	0.000	1	109.5124	0.867	5	109.6068	0.747	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	109.9340	0.000	1	109.9340	0.000	1	109.5124	0.867	5	109.6068	0.747	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	110.8420	0.000	1	110.8420	0.000	1	109.5124	0.867	5	109.6068	0.747	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	109.6068	0.747	6	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CNO)(H)2	N[6](C[6]C[6]CH)2(CC[6a]O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CNO)(H)2	N[6](C[6]C[6]CH)2(CC[6a]O){1|C<4>,4|H<1>}	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6,6]N[6]H)(COO)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6,6]N[6]H)(COO)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	109.5180	0.000	1	109.5180	0.000	1	109.5180	0.000	1	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO){4|C<3>}	112.4240	0.000	1	112.4240	0.000	1	111.1498	1.465	6	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)2(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)2	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<4>,4|H<1>}	110.4940	0.000	1	110.4940	0.000	1	111.1498	1.465	6	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CCO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	111.6370	0.000	1	111.6370	0.000	1	111.1498	1.465	6	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|I<1>,3|H<1>}	C(C[6]C[6]N[6]H)(CHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	109.1140	0.000	1	109.1140	0.000	1	111.1498	1.465	6	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	112.0930	0.000	1	111.6150	0.457	2	111.1498	1.465	6	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(COO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	111.1370	0.000	1	111.6150	0.457	2	111.1498	1.465	6	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	113.6820	0.000	1	112.5245	2.680	2	112.5245	2.680	2	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<4>,3|H<1>}	111.3670	0.000	1	112.5245	2.680	2	112.5245	2.680	2	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	118.6080	0.000	1	118.6080	0.000	1	115.9830	29.438	3	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	119.5970	0.000	1	119.5970	0.000	1	115.9830	29.438	3	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.7440	0.000	1	109.7440	0.000	1	115.9830	29.438	3	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H){1|O<2>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<4>}	111.6000	0.000	1	111.6000	0.000	1	111.6570	0.665	5	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	112.6360	0.000	1	112.6360	0.000	1	111.6570	0.665	5	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	111.1030	0.000	1	111.1030	0.000	1	111.6570	0.665	5	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.2870	0.000	1	111.4730	1.325	2	111.6570	0.665	5	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	110.6590	0.000	1	111.4730	1.325	2	111.6570	0.665	5	112.1789	7.445	19	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:2:1:	4:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]N[6]H)(COO)(OH)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	110.8420	0.000	1	110.8420	0.000	1	110.8420	0.000	1	111.9020	2.247	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:2:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:N-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(NC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>}	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	111.9020	2.247	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:3:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,3|H<1>}	109.7690	0.000	1	109.7690	0.000	1	109.7690	0.000	1	109.7690	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:3:2:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:3:3:2:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	113.7800	0.262	2	113.7800	0.068	2	113.7800	0.068	2	113.7800	0.068	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H){1|C<2>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>}	108.5110	0.000	1	108.5110	0.000	1	111.3760	6.453	3	110.1780	5.991	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHO)(H)2	N[6](C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>}	112.8085	0.770	2	112.8085	0.593	2	111.3760	6.453	3	110.1780	5.991	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H){2|O<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	110.1780	5.991	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]H)(C[6]C[6]N[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	110.1780	5.991	5	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C(C[6]C[3x6]N[6]H)(CC[6]HH)(H)2	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	110.6965	0.097	2	110.6965	0.009	2	110.6965	0.009	2	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|P<4>,2|C<4>,3|H<1>}	C(C[6]C[5,6]N[6]H)(CC[5]CH)(H)2	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3){1|Fe<10>,2|C<3>,2|C<4>}	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:F-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(F)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|H<1>}	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CHHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CHHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C(C[6]C[6]N[6]H)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,4|H<1>}	111.4810	0.000	1	111.4810	0.000	1	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	111.1895	0.326	2	111.1895	0.106	2	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H){1|Cl<1>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	112.7420	0.000	1	112.7420	0.000	1	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	111.6150	0.000	1	111.6150	0.000	1	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	110.1460	0.000	1	110.1460	0.000	1	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(SC[6a]OO)	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,1|S<3>,2|H<1>}	114.3755	0.135	2	114.3755	0.018	2	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	112.1180	0.000	1	112.1180	0.000	1	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.4720	0.000	1	110.4720	0.000	1	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.8940	0.000	1	107.8940	0.000	1	111.5998	3.458	11	111.3508	2.792	16	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	110.5620	1.332	5	111.0337	2.754	6	111.4558	1.471	12	111.4558	1.471	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	113.3920	0.000	1	111.0337	2.754	6	111.4558	1.471	12	111.4558	1.471	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	3:4:1:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5,6]N[6]H)(CHHO)(OH)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	111.8780	0.234	6	111.8780	0.055	6	111.4558	1.471	12	111.4558	1.471	12	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,2|C<4>,2|H<1>}	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	111.8740	4.663	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:2:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CHHO)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	113.4010	0.000	1	113.4010	0.000	1	113.4010	0.000	1	111.8740	4.663	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:3:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCHH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,2|C<4>}	108.3530	0.000	1	108.3530	0.000	1	111.9410	25.747	2	111.9410	25.747	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	115.5290	0.000	1	115.5290	0.000	1	111.9410	25.747	2	111.9410	25.747	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	109.7500	0.000	1	109.7500	0.000	1	109.6805	0.010	2	109.6805	0.010	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H)	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)2(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,4|H<1>}	109.6110	0.000	1	109.6110	0.000	1	109.6805	0.010	2	109.6805	0.010	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:2:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H){1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:2:	4:4:4:	C[6]-4:N[6]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H){1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]N[6]H)(CH3)(OH)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>}	115.6860	0.000	1	115.6860	0.000	1	115.6860	0.000	1	115.6860	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:1:	4:4:4:4:	4:4:1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H)	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6]C[6]CH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)3	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:2:	4:1:1:1:	4:3:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	C(C[6]C[6]N[6]O)(F)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]O)(F)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	107.2300	0.095	2	107.2300	0.009	2	107.2300	0.009	2	107.2300	0.009	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:2:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	111.9040	0.000	1	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:2:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C(C[6]C[6]N[6]C)(CCHH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]C)(CCHH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	111.8570	0.000	1	111.8570	0.000	1	111.1920	0.884	2	111.1920	0.884	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:2:	4:4:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C(C[6]C[6]N[6]C)(CHHS)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(CHHS)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|H<1>}	110.5270	0.000	1	110.5270	0.000	1	111.1920	0.884	2	111.1920	0.884	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>}	109.4690	0.000	1	109.4690	0.000	1	109.4690	0.000	1	108.6320	1.401	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH)	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	108.6320	1.401	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH){1|C<4>,2|N<3>,3|H<1>}	110.2885	0.781	2	110.2885	0.611	2	110.2885	0.611	2	111.5662	2.514	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	3:4:4:	Si[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2	C(C[6]Si[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C(C[6]Si[6]N[6]C)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH){1|Cl<1>,1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	112.8440	0.634	2	112.8440	0.401	2	112.8440	0.401	2	111.5662	2.514	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:2:1:	Si[6,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:H-1:	C[6](Si[6,6]C[6]N[6]2)(N[6]N[6]H)(CH3)2	C(C[6]Si[6,6]N[6]C)(H)3	N[6](C[6]Si[6,6]CC)(N[6]C[6])(H)	C[6](Si[6,6]C[6]N[6]2)(N[6]N[6]H)(CH3)2{2|H<1>,5|C<3>}	C(C[6]Si[6,6]N[6]C)(H)3	N[6](C[6]Si[6,6]CC)(N[6]C[6])(H){2|C<4>,2|N<3>}	107.6100	5.187	2	107.6100	26.908	2	107.6100	26.908	2	107.6100	26.908	2	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2	C(C[6]C[6,6]N[6]C)(H)3	N[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	N[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	109.4465	4.051	2	109.4465	16.411	2	109.4465	16.411	2	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2{2|S<4>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H){1|C<4>,4|H<1>}	108.7005	2.716	4	108.7005	7.375	4	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H){2|Br<1>,1|C<3>,2|H<1>}	109.2473	3.363	4	109.2473	11.311	4	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H){1|C<4>,4|H<1>}	108.5799	3.388	7	108.7938	10.518	21	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H){1|C<4>,4|H<1>}	110.0395	5.638	2	108.7938	10.518	21	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H){1|C<3>,4|H<1>}	109.0426	3.262	8	108.7938	10.518	21	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(H){1|C<4>,4|H<1>}	108.0478	3.113	4	108.7938	10.518	21	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){3|C<3>,4|H<1>}	108.5130	1.431	4	108.5130	2.048	4	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	108.6565	2.774	2	108.6565	7.695	2	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	110.3407	3.666	6	110.3407	13.439	6	109.0212	9.022	41	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.5192	1.504	4	108.5192	2.262	4	108.4501	1.039	102	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){2|Br<1>,1|C<3>,2|H<1>}	108.4080	1.213	2	108.4080	1.472	2	108.4501	1.039	102	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	107.4920	1.440	2	108.4481	1.017	96	108.4501	1.039	102	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.3300	0.936	32	108.4481	1.017	96	108.4501	1.039	102	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.4213	0.806	12	108.4481	1.017	96	108.4501	1.039	102	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.5720	1.109	46	108.4481	1.017	96	108.4501	1.039	102	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	108.5252	0.804	4	108.4481	1.017	96	108.4501	1.039	102	108.6253	3.425	145	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC)	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	110.3500	3.758	2	110.3500	14.119	2	110.3500	14.119	2	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OAl)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OAl){1|C<4>,4|H<1>}	110.7786	4.372	22	110.7786	19.117	22	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OB[6a])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OB[6a]){1|C<4>,4|H<1>}	111.8729	4.115	8	111.8729	16.930	8	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OBe)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OBe){1|C<4>,4|H<1>}	110.5397	4.921	12	110.5397	24.218	12	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	111.4280	4.317	128	111.4280	18.640	128	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC[5,6])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC[5,6]){1|C<4>,4|H<1>}	111.8833	4.438	8	111.8833	19.695	8	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC[5])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC[5]){1|C<4>,4|H<1>}	111.5402	4.393	16	111.5402	19.303	16	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC[6])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OC[6]){1|C<4>,4|H<1>}	111.5400	4.430	4	111.5400	19.624	4	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OGe[5])	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OGe[5]){1|C<4>,4|H<1>}	111.9032	5.015	8	111.9032	25.148	8	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OH)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OH){1|C<4>,4|H<1>}	111.2840	4.775	37	111.2840	22.804	37	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(ONi)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(ONi){1|C<4>,4|H<1>}	110.5265	4.680	4	110.5265	21.906	4	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OP)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OP){1|C<4>,4|H<1>}	112.1505	4.067	8	112.1505	16.538	8	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OS)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OS){1|C<3>,4|H<1>}	111.9795	4.637	4	111.9795	21.501	4	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OSn)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OSn){1|C<4>,4|H<1>}	111.1788	4.830	12	111.1788	23.325	12	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OTi)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OTi){1|C<4>,4|H<1>}	110.9862	4.425	12	110.9862	19.584	12	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OZn)	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(OZn){1|C<4>,4|H<1>}	108.4002	0.533	4	108.4002	0.285	4	111.3128	18.969	287	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-2:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PC[5])	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PC[5]){1|C<4>,4|H<1>}	111.9560	3.154	4	111.9560	9.950	4	111.2424	5.116	20	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-2:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PN)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PN){1|C<4>,4|H<1>}	111.8700	1.205	4	111.8700	1.451	4	111.2424	5.116	20	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-2:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PP)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PP){1|C<4>,4|H<1>}	110.7953	2.276	12	110.7953	5.180	12	111.2424	5.116	20	111.3021	17.982	309	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BBrN)	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(BBrN){1|C<4>,4|H<1>}	111.1535	3.545	4	111.1535	12.567	4	111.1535	12.567	4	111.4531	4.374	15	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PC[5]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PC[5]H){1|C<4>,4|H<1>}	110.2653	1.439	3	110.2653	2.072	3	111.5621	2.304	11	111.4531	4.374	15	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PClN)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PClN){1|C<4>,4|H<1>}	112.0055	1.366	4	112.0055	1.867	4	111.5621	2.304	11	111.4531	4.374	15	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PNP)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(PNP){1|C<4>,4|H<1>}	112.0913	1.454	4	112.0913	2.115	4	111.5621	2.304	11	111.4531	4.374	15	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:4:	C[6,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2	C(C[6]C[6,6]N[6]C)(H)3	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO){1|H<1>,2|C<4>}	109.2960	1.178	2	109.2960	1.388	2	109.2960	1.388	2	111.7269	10.702	44	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2	C(C[6]C[6]N[6]C)(F)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2{2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(F)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3){1|C<3>,1|N<2>,2|H<1>}	110.8275	4.416	2	110.8275	19.500	2	110.8275	19.500	2	111.7269	10.702	44	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCCH){1|C<4>,4|H<1>}	112.5535	2.958	8	112.5535	8.748	8	111.8935	10.891	40	111.7269	10.702	44	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	111.5535	3.180	16	111.5535	10.113	16	111.8935	10.891	40	111.7269	10.702	44	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:1:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	N[6](C[6]C[6]CC)2(CH3){1|C<4>,4|H<1>}	111.9034	3.710	16	111.9034	13.766	16	111.8935	10.891	40	111.7269	10.702	44	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:3:1:1:	4:4:4:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2	C(C[6]C[6]N[6]C)(NCC)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2{1|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(NCC)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|O<1>,1|O<2>,2|H<1>}	110.8065	5.719	4	110.8065	32.712	4	110.8065	32.712	4	110.8065	32.712	4	110.6684	10.187	1043	110.7310	9.347	1214
466	490	856	0:SP3_SP3_SP3	C[6]	C	N[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2	C(C[6]C[6]N[6]C)(NCuCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(NCuCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	106.3125	0.276	2	106.3125	0.076	2	106.3125	0.076	2	106.3125	0.076	2	110.6684	10.187	1043	110.7310	9.347	1214