490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:1:1:1:	4:3:4:	C[4]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[4,6]-4:C[4]-3:C-4:	C(C[4]C[4,6]C[4])(CClHH)(H)2	C(CC[4]HH)(Cl)(H)2	C[4](C[4,6]C[6,6a]C[4,6]C[6a])(C[4]C[4,6]C)(CCHH)	C(C[4]C[4,6]C[4])(CClHH)(H)2	C(CC[4]HH)(Cl)(H)2	C[4](C[4,6]C[6,6a]C[4,6]C[6a])(C[4]C[4,6]C)(CCHH){1|C<4>,1|H<1>,4|C<3>}	112.6420	0.786	2	112.6420	0.618	2	112.6420	0.618	2	113.5321	2.428	11	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:1:1:1:	4:3:4:	C[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C(C[4]C[4]2)(CH3)(H)2	C(CC[4]HH)(H)3	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C)(CCHH)	C(C[4]C[4]2)(CH3)(H)2	C(CC[4]HH)(H)3	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C)(CCHH){1|H<1>,3|C<3>}	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	113.5321	2.428	11	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:1:1:1:	4:3:4:	C[4]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[4,4]-4:C[4]-3:C-4:	C(C[4]Si[4,4]C[4])(CH3)(H)2	C(CC[4]HH)(H)3	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH)	C(C[4]Si[4,4]C[4])(CH3)(H)2	C(CC[4]HH)(H)3	C[4](Si[4,4]Si[4,4]C[4]Si)(C[4]Si[4,4]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>}	113.9839	1.562	8	113.9839	2.441	8	113.9839	2.441	8	113.5321	2.428	11	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:2:1:1:	4:3:4:	C[4]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C(C[4]C[4]2)(CHHO)(H)2	C(CC[4]HH)(OC)(H)2	C[4](C[4]C[6a]2C[4])(C[4]C[6a]C[4])(CCHH)	C(C[4]C[4]2)(CHHO)(H)2	C(CC[4]HH)(OC)(H)2	C[4](C[4]C[6a]2C[4])(C[4]C[6a]C[4])(CCHH){7|C<3>}	116.0530	0.000	1	116.0530	0.000	1	116.0530	0.000	1	116.0530	0.000	1	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:3:1:1:	4:3:4:	C[4]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	B[4]-4:C[4]-3:C-4:	C(C[4]B[4]C[4])(CHHP)(H)2	C(CC[4]HH)(PC[6a]2)(H)2	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH)	C(C[4]B[4]C[4])(CHHP)(H)2	C(CC[4]HH)(PC[6a]2)(H)2	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH){6|C<3>}	110.9795	2.651	2	110.9795	7.028	2	110.9795	7.028	2	110.9795	7.028	2	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:4:1:1:	3:3:4:	C[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C[4](N[4]B[4]C)2(CCHH)	C(C[4]N[4]2)(CCHH)(H)2	C(CC[4]HH)(CCHH)(H)2	C[4](N[4]B[4]C)2(CCHH){1|C<3>,1|N<3>}	116.4470	0.000	1	116.4470	0.000	1	116.4470	0.000	1	116.4470	0.000	1	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:4:1:1:	3:4:4:	C[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4,6]-3:C[4]-4:C-4:	C(C[4]C[4,6]C[4])(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]FF)(CCHH)	C(C[4]C[4,6]C[4])(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	C[4](C[4,6]C[4,6]C[6])(C[4]C[4,6]FF)(CCHH){1|C<3>,1|N<3>,2|H<1>}	115.5950	0.000	1	115.5950	0.000	1	115.5950	0.000	1	115.5950	0.000	1	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:4:1:1:	4:3:4:	C[4]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[4]-4:C[4]-3:C-4:	C(C[4]C[4]P[4])(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	C[4](P[4]C[6a]2B[4])(C[4]C[6a]B[4])(CCHH)	C(C[4]C[4]P[4])(CCHH)(H)2	C(CC[4]HH)(CH3)(H)2	C[4](P[4]C[6a]2B[4])(C[4]C[6a]B[4])(CCHH){8|C<3>}	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	113.0523	0.738	3	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:4:1:1:	4:3:4:	C[4]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	B[4]-4:C[4]-3:C-4:	C(C[4]B[4]C[4])(CHHP)(H)2	C(PC[6a]2O)(CC[4]HH)(H)2	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH)	C(C[4]B[4]C[4])(CHHP)(H)2	C(PC[6a]2O)(CC[4]HH)(H)2	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH){6|C<3>}	112.3200	0.000	1	112.3200	0.000	1	112.5795	0.135	2	113.0523	0.738	3	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:1:1:	4:4:1:1:	4:3:4:	C[4]-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	B[4]-4:C[4]-3:C-4:	C(C[4]B[4]C[4])(CHHP)(H)2	C(PC[6a]2S)(CC[4]HH)(H)2	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH)	C(C[4]B[4]C[4])(CHHP)(H)2	C(PC[6a]2S)(CC[4]HH)(H)2	C[4](B[4]C[6a]2P[4])(C[4]P[4]Si)(CCHH){6|C<3>}	112.8390	0.000	1	112.8390	0.000	1	112.5795	0.135	2	113.0523	0.738	3	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:2:1:	4:1:1:1:	3:3:4:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C[4]-3:C-4:	C(C[4]C[4]2)(CH3)(OP)(H)	C(CC[4]HO)(H)3	C[4](C[4]C[6a]C[4])(C[4]C[4]C)(CCHO)	C(C[4]C[4]2)(CH3)(OP)(H)	C(CC[4]HO)(H)3	C[4](C[4]C[6a]C[4])(C[4]C[4]C)(CCHO){1|C<4>,1|H<1>,2|C<3>}	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	113.4540	0.000	1	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:2:1:	4:1:1:1:	4:3:4:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C[4,5,6]-4:C[4]-3:C-4:	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	C(CC[4]HO)(H)3	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(CCHO)	C(C[4]C[4,5,6]C[4])(CH3)(OC)(H)	C(CC[4]HO)(H)3	C[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]C)(CCHO){1|C<3>,2|C<4>,2|H<1>}	114.4030	0.000	1	114.4030	0.000	1	114.4030	0.000	1	112.8250	4.980	2	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:2:1:	4:1:1:1:	4:3:4:	C[4]-3:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C(C[4]C[4]2)(CH3)(OH)(H)	C(CC[4]HO)(H)3	C[4](C[4]C[4]OO)(C[4]C[4]H)(CCHO)	C(C[4]C[4]2)(CH3)(OH)(H)	C(CC[4]HO)(H)3	C[4](C[4]C[4]OO)(C[4]C[4]H)(CCHO){2|O<2>}	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	112.8250	4.980	2	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:1:	4:4:1:1:	4:3:4:	C[4]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCHH)(H)2	C[4](C[4,5]C[4,5]O[5]C)(C[4]C[4,5]C)(CCCH)	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCHH)(H)2	C[4](C[4,5]C[4,5]O[5]C)(C[4]C[4,5]C)(CCCH){1|C<4>,1|H<1>,1|O<2>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:1:	4:4:3:1:	4:3:4:	C[4]-3:C-4:C-4:H-1:	C-4:C-4:C-3:H-1:	C[4,5]-4:C[4]-3:C-4:	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCCO)(CCH)(H)	C[4](C[4,5]C[4,5]O[5]C)(C[4]C[4,5]C)(CCCH)	C(C[4]C[4,5]C[4])(CCCH)(CCHH)(H)	C(CC[4]CH)(CCCO)(CCH)(H)	C[4](C[4,5]C[4,5]O[5]C)(C[4]C[4,5]C)(CCCH){1|C<4>,1|H<1>,1|O<2>}	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:2:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C(C[4]C[4]2)(CH3)2(OSi)	C(CC[4]CO)(H)3	C[4](C[4]C[4]CH)(C[4]C[4]C)(CCCO)	C(C[4]C[4]2)(CH3)2(OSi)	C(CC[4]CO)(H)3	C[4](C[4]C[4]CH)(C[4]C[4]C)(CCCO){1|C<4>,1|H<1>}	111.6696	1.623	8	111.6696	2.633	8	111.6696	2.633	8	111.6696	2.633	8	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4,6]-3:P[4]-3:C-4:	C(C[4]C[4,6]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](C[4,6]N[4,6]N[6])(P[4]N[4,6]C[6a])(CC3)	C(C[4]C[4,6]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](C[4,6]N[4,6]N[6])(P[4]N[4,6]C[6a])(CC3){5|C<3>}	110.1400	2.803	6	110.1400	7.855	6	110.1400	7.855	6	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-3:C[4]-3:C-4:	C(C[4]C[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](C[4]P[4]C)(C[4]P[4]O)(CC3)	C(C[4]C[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](C[4]P[4]C)(C[4]P[4]O)(CC3){1|P<3>}	110.3027	1.206	6	110.3027	1.454	6	110.3027	1.454	6	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]C[6a]Ge[4])2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]C[6a]Ge[4])2(CC3){1|Cl<1>,1|Ni<4>,4|C<3>}	110.3830	1.802	6	110.3937	3.674	9	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]C[6a]Ge[4])2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]C[6a]Ge[4])2(CC3){1|Cl<1>,4|C<3>}	110.4150	2.565	3	110.3937	3.674	9	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C)2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C)2(CC3){1|Cl<1>,1|Fe<8>}	110.6790	3.695	3	110.6790	13.656	3	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C[6])2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C[6])2(CC3){1|Cl<1>,1|Fe<8>,2|H<1>,4|C<4>}	110.6823	3.931	3	110.8147	9.068	24	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C[6])2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C[6])2(CC3){1|Ga<4>,1|I<1>,2|H<1>,4|C<4>}	110.5692	3.232	12	110.8147	9.068	24	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C[6])2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C[6])2(CC3){2|Ga<4>,2|H<1>,4|C<4>}	111.3863	2.878	6	110.8147	9.068	24	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C[6])2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ga[4]C[6])2(CC3){2|H<1>,2|I<1>,4|C<4>}	110.7857	3.050	3	110.8147	9.068	24	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ge[4]C)2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ge[4]C)2(CC3){1|Cl<1>,1|Fe<5>}	110.3770	3.176	6	110.5553	9.065	12	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ge[4]C)2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ge[4]C)2(CC3){1|Fe<5>,1|N<3>}	110.9623	3.329	3	110.5553	9.065	12	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ge[4]C)2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ge[4]C)2(CC3){1|N<3>}	110.5047	3.634	3	110.5553	9.065	12	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ge[4]Si)2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]Ge[4]Si)2(CC3){1|N<3>}	110.0887	2.004	3	110.0887	4.017	3	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]In[4]C)2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]In[4]C)2(CC3){2|N<3>}	110.8420	3.871	3	110.8420	14.988	3	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:N[4]-3:C-4:	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]In[4]C[6])2(CC3)	C(C[4]N[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]In[4]C[6])2(CC3){1|Br<1>,1|Fe<8>,2|H<1>,4|C<4>}	110.9210	3.613	3	110.9210	13.055	3	110.6553	7.710	57	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,5]-3:C[4]-3:C-4:	C(C[4]P[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,5]C[3,5]P[4,5])(C[4]P[4,5]C)(CC3)	C(C[4]P[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,5]C[3,5]P[4,5])(C[4]P[4,5]C)(CC3){2|C<4>,2|P<3>}	110.2627	2.027	6	110.2627	4.110	6	110.6466	2.954	12	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,5]-3:C[4]-3:C-4:	C(C[4]P[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,5]C[5,5]P[4,5])(C[4]P[4,5]C)(CC3)	C(C[4]P[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,5]C[5,5]P[4,5])(C[4]P[4,5]C)(CC3){1|P<2>,1|P<3>,2|C<4>}	111.0305	1.427	6	111.0305	2.035	6	110.6466	2.954	12	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,6,6]-3:C[4]-3:C-4:	C(C[4]P[4,6,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,6,6]P[4,6,6]P[3x6])(C[4]P[4,6,6]C)(CC3)	C(C[4]P[4,6,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,6,6]P[4,6,6]P[3x6])(C[4]P[4,6,6]C)(CC3){1|W<6>,1|W<9>,3|C<4>}	110.6773	5.246	3	110.6773	27.523	3	110.6773	27.523	3	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:C[4]-3:C-4:	C(C[4]C[4]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4]C[4]P[4])(C[4]C[4]C)(CC3)	C(C[4]C[4]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4]C[4]P[4])(C[4]C[4]C)(CC3){1|O<2>,2|C<3>}	107.8975	2.237	6	107.8975	5.004	6	107.8975	5.004	6	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	S[4,5]-3:C[4]-3:C-4:	C(C[4]S[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](S[4,5]B[4,5]C[5])(C[4]B[4,5]C[6a])(CC3)	C(C[4]S[4,5]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](S[4,5]B[4,5]C[5])(C[4]B[4,5]C[6a])(CC3){1|C<4>,5|C<3>}	110.1327	2.154	3	110.1327	4.639	3	110.1327	4.639	3	110.4041	6.990	93	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:4:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4,6]-3:C[4]-4:C-4:	C(C[4]C[4,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](C[4,6]C[4,6]O[6])(C[4]C[4,6]HH)(CC3)	C(C[4]C[4,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](C[4,6]C[4,6]O[6])(C[4]C[4,6]HH)(CC3){1|O<2>,2|C<4>}	109.5893	1.242	3	109.5893	1.542	3	109.5893	1.542	3	109.5840	2.007	9	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:4:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-3:C[4]-4:C-4:	C(C[4]C[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](C[4]C[6a]O[4])(C[4]O[4]CC)(CC3)	C(C[4]C[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](C[4]C[6a]O[4])(C[4]O[4]CC)(CC3){2|C<3>}	109.5627	1.664	3	109.5627	2.769	3	109.5627	2.769	3	109.5840	2.007	9	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	3:4:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[4]-3:C[4]-4:C-4:	C(C[4]C[4]N[4])(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]C[6a]B[4])(C[4]B[4]CH)(CC3)	C(C[4]C[4]N[4])(CH3)3	C(CC[4]CC)(H)3	C[4](N[4]C[6a]B[4])(C[4]B[4]CH)(CC3){2|Cl<1>,2|C<3>}	109.6000	1.928	3	109.6000	3.717	3	109.6000	3.717	3	109.5840	2.007	9	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C(C[4]C[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](C[4]P[4]CH)(C[4]P[4]O)(CC3)	C(C[4]C[4]2)(CH3)3	C(CC[4]CC)(H)3	C[4](C[4]P[4]CH)(C[4]P[4]O)(CC3){1|H<1>,1|O<1>}	110.2513	0.565	3	110.2513	0.319	3	110.2513	0.319	3	110.2037	3.239	30	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,4]-4:P[4]-3:C-4:	C(C[4]P[4,4]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,4]C[4,4]C[4]C)(P[4]C[4,4]Pb)(CC3)	C(C[4]P[4,4]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,4]C[4,4]C[4]C)(P[4]C[4,4]Pb)(CC3){1|P<3>,2|C<4>}	110.5697	1.912	6	110.5697	3.657	6	110.1409	3.267	12	110.2037	3.239	30	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,4]-4:P[4]-3:C-4:	C(C[4]P[4,4]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,4]C[4,4]C[4]C)(P[4]C[4,4]Sn)(CC3)	C(C[4]P[4,4]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,4]C[4,4]C[4]C)(P[4]C[4,4]Sn)(CC3){1|P<3>,2|C<4>}	109.7122	1.758	6	109.7122	3.090	6	110.1409	3.267	12	110.2037	3.239	30	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4,6,6]-4:C[4]-3:C-4:	C(C[4]P[4,6,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,6,6]P[4,6,6]C[3x6]W)(C[4]P[4,6,6]C)(CC3)	C(C[4]P[4,6,6]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4,6,6]P[4,6,6]C[3x6]W)(C[4]P[4,6,6]C)(CC3){1|C<4>,1|P<4>,2|P<3>}	110.9023	1.848	3	110.9023	3.415	3	110.9023	3.415	3	110.2037	3.239	30	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C[4]-3:C-4:	C(C[4]C[4]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4]C[6a]Se[4]Se)(C[4]Se[4]C)(CC3)	C(C[4]C[4]P[4])(CH3)3	C(CC[4]CC)(H)3	C[4](P[4]C[6a]Se[4]Se)(C[4]Se[4]C)(CC3){2|C<3>}	109.8727	1.070	3	109.8727	1.146	3	109.8727	1.146	3	110.2037	3.239	30	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:C-4:	C(C[4]Si[4]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Si)(CC3)	C(C[4]Si[4]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Si)(CC3){2|C<3>}	110.0450	4.138	3	110.0450	17.124	3	110.1491	5.794	9	110.2037	3.239	30	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:C-4:	C(C[4]Si[4]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CC3)	C(C[4]Si[4]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](Si[4]C[4]CC)(C[4]C[4]Ti)(CC3){1|C<3>}	110.4877	1.968	3	110.4877	3.871	3	110.1491	5.794	9	110.2037	3.239	30	110.7826	6.478	164	110.7826	6.478	164
490	490	846	0:SP3_SP2_SP3	C	C	C[4]	3:4:4:4:	4:1:1:1:	4:3:4:	C[4]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4]-4:C[4]-3:C-4:	C(C[4]Si[4]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](Si[4]C[4]SiO)(C[4]C[4]H)(CC3)	C(C[4]Si[4]C[4])(CH3)3	C(CC[4]CC)(H)3	C[4](Si[4]C[4]SiO)(C[4]C[4]H)(CC3){1|Si<4>,1|C<4>}	109.9147	1.382	3	109.9147	1.910	3	110.1491	5.794	9	110.2037	3.239	30	110.7826	6.478	164	110.7826	6.478	164
490	490	849	0:SP3_SP3_SP3	C	C	P[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	P[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:Se-1:	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	C(CP[6,6]HH)(CCHH)(H)2	P[6,6](C[6,6]C[6]2H)2(CCHH)(Se)	C(P[6,6]C[6,6]2Se)(CCHH)(H)2	C(CP[6,6]HH)(CCHH)(H)2	P[6,6](C[6,6]C[6]2H)2(CCHH)(Se){2|C<4>,8|H<1>}	112.5350	0.000	1	112.5350	0.000	1	112.5350	0.000	1	112.5350	0.000	1	113.6620	0.620	5	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6,6]	4:4:4:1:	4:1:1:1:	4:3:4:4:	P[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:N[6,6]-3:C-4:C-4:	C(P[6,6]C[3x6]N[6,6]C)(CH3)2(H)	C(CP[6,6]CH)(H)3	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2	C(P[6,6]C[3x6]N[6,6]C)(CH3)2(H)	C(CP[6,6]CH)(H)3	P[6,6](C[3x6]Ge[4,6,6]C[3x6]H)(N[6,6]Ge[3x6]Si)(CCCH)2{1|C<3>,1|C<4>,2|N<3>}	113.9437	0.546	4	113.9437	0.298	4	113.9437	0.298	4	113.9437	0.298	4	113.6620	0.620	5	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	3:4:4:2:	4:1:1:1:	4:2:2:1:	C[6a]-3:P[6]-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O[6]-2:O[6]-2:O-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	C(CC[6a]P[6]O)(H)3	P[6](CC[6a]CO)(O[6]C[6])2(O)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CH3)(OH)	C(CC[6a]P[6]O)(H)3	P[6](CC[6a]CO)(O[6]C[6])2(O){1|C<4>,4|H<1>}	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:1:1:	4:1:1:1:	3:2:2:4:	P[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:N[6]-2:N[6]-2:C-4:	C(P[6]C[6a]N[6]2)(CH3)(H)2	C(CP[6]HH)(H)3	P[6](C[6a]C[6a]2)(N[6]P[6])2(CCHH)	C(P[6]C[6a]N[6]2)(CH3)(H)2	C(CP[6]HH)(H)3	P[6](C[6a]C[6a]2)(N[6]P[6])2(CCHH){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	113.3222	0.648	5	113.3222	0.420	5	113.3222	0.420	5	113.3222	0.420	5	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:1:1:	4:4:1:1:	2:2:4:1:	P[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	O[6]-2:O[6]-2:C-4:O-1:	C(P[6]O[6]2O)(CCHH)(H)2	C(CP[6]HH)(CH3)(H)2	P[6](O[6]C[5,6])(O[6]C[6])(CCHH)(O)	C(P[6]O[6]2O)(CCHH)(H)2	C(CP[6]HH)(CH3)(H)2	P[6](O[6]C[5,6])(O[6]C[6])(CCHH)(O){1|C<3>,2|C<4>,2|H<1>}	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	P[6]-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:Se-1:	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	C(CP[6]HH)(CH3)2(H)	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se)	C(P[6]C[6,6]C[6]Se)(CCCH)(H)2	C(CP[6]HH)(CH3)2(H)	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se){2|C<4>,6|H<1>}	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	3:2:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:C-4:	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6])(CCCH)2	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6])(CCCH)2{1|B<4>,1|F<1>,2|C<3>,2|C<4>}	112.0722	4.152	4	112.0722	17.243	4	112.0722	17.243	4	111.8517	7.681	16	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	3:2:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:S[6]-2:C-4:C-4:	C(P[6]C[6,6a]S[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(CCCH)2	C(P[6]C[6,6a]S[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(CCCH)2{1|H<1>,2|S<1>,3|C<3>}	112.0900	2.711	8	112.0900	7.350	8	112.0900	7.350	8	111.8517	7.681	16	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	3:2:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:C-4:	C(P[6]C[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6]N[6]N)(N[6]C[6])(CCCH)2	C(P[6]C[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6]N[6]N)(N[6]C[6])(CCCH)2{1|N<2>,1|P<4>}	111.1545	1.774	4	111.1545	3.148	4	111.1545	3.148	4	111.8517	7.681	16	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[5,6]C[6a])(CCCH)2	C(P[6]C[6,6a]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[5,6]C[6a])(CCCH)2{2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|P<4>,4|C<3>}	111.8686	1.475	8	111.8686	2.177	8	111.8686	2.177	8	111.8686	2.177	8	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|C<4>,1|H<1>,3|C<3>}	112.3063	1.384	8	112.0518	2.085	20	112.0518	2.085	20	112.0518	2.085	20	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,1|H<1>,4|C<3>}	112.0323	1.719	4	112.0518	2.085	20	112.0518	2.085	20	112.0518	2.085	20	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	3:4:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2	C(P[6]C[6,6a]B[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]P[6]HH)(CCCH)2{1|B<4>,2|H<1>,3|C<3>}	111.8071	1.528	8	112.0518	2.085	20	112.0518	2.085	20	112.0518	2.085	20	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	4:2:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:N[6]-2:C-4:C-4:	C(P[6]B[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](B[6]C[6,6a]C[6a]2)(N[6]P[6])(CCCH)2	C(P[6]B[6]N[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](B[6]C[6,6a]C[6a]2)(N[6]P[6])(CCCH)2{2|C<4>,6|C<3>}	112.7850	1.391	4	112.7850	1.936	4	112.7850	1.936	4	112.7850	1.936	4	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:1:	4:1:1:1:	4:4:4:4:	P[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:C-4:	C(P[6]Ga[6]C[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2	C(P[6]Ga[6]C[6]C)(CH3)2(H)	C(CP[6]CH)(H)3	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2{1|I<1>,2|C<3>,2|P<4>,3|C<4>}	113.3263	2.257	16	113.3263	5.093	16	113.3263	5.093	16	113.3263	5.093	16	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:2:	4:1:1:1:	2:2:4:1:	P[6]-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:C-4:O-1:	C(P[6]O[6]2O)(CH3)2(OH)	C(CP[6]CO)(H)3	P[6](O[6]C[6])2(CCCO)(O)	C(P[6]O[6]2O)(CH3)2(OH)	C(CP[6]CO)(H)3	P[6](O[6]C[6])2(CCCO)(O){1|C<4>,4|H<1>}	109.4976	0.776	8	109.4976	0.602	8	109.4976	0.602	8	109.4976	0.602	8	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	2:3:4:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[6]-2:N[6]-3:C-4:O-1:	C(P[6]N[6]O[6]O)(CH3)3	C(CP[6]CC)(H)3	P[6](O[6]C[6,6a])(N[6]C[6]S)(CC3)(O)	C(P[6]N[6]O[6]O)(CH3)3	C(CP[6]CC)(H)3	P[6](O[6]C[6,6a])(N[6]C[6]S)(CC3)(O){1|C<4>,1|H<1>,2|C<3>}	108.8553	3.426	3	108.8553	11.735	3	108.8553	11.735	3	108.8553	11.735	3	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	2:4:4:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-2:C[6]-4:C-4:C-4:	C(P[6]C[6]N[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](N[6]Ge[5,6])(C[6]C[6]HH)(CC3)2	C(P[6]C[6]N[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](N[6]Ge[5,6])(C[6]C[6]HH)(CC3)2{1|P<3>,2|C<4>,2|O<2>}	110.4425	3.603	6	110.4425	12.982	6	110.4425	12.982	6	110.0888	12.125	36	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	2:4:4:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](O[6]In[3x6])(C[6]C[6]HH)(CC3)2	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](O[6]In[3x6])(C[6]C[6]HH)(CC3)2{1|C<4>,1|H<1>,5|O<2>}	110.0944	3.696	18	110.0944	13.662	18	110.0181	12.364	30	110.0888	12.125	36	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	2:4:4:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](O[6]In[6,6])(C[6]C[6]HH)(CC3)2	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](O[6]In[6,6])(C[6]C[6]HH)(CC3)2{1|C<4>,1|H<1>,4|O<2>}	109.9037	3.385	12	109.9037	11.459	12	110.0181	12.364	30	110.0888	12.125	36	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	3:2:4:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:C-4:	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](C[6]C[6a]N[6])(O[6]B[5a,6])(CC3)2	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](C[6]C[6a]N[6])(O[6]B[5a,6])(CC3)2{2|C<3>,3|O<2>}	110.0680	2.896	6	110.0680	8.386	6	110.0680	8.386	6	110.0680	8.386	6	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	3:3:3:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C(P[6]C[6,6a]N[5,6]C[6a])(CH3)3	C(CP[6]CC)(H)3	P[6](N[5,6]In[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC3)	C(P[6]C[6,6a]N[5,6]C[6a])(CH3)3	C(CP[6]CC)(H)3	P[6](N[5,6]In[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC3){1|C<4>,1|N<3>,4|C<3>,4|O<2>,5|H<1>}	109.6263	3.185	6	109.6263	10.144	6	109.6263	10.144	6	109.6263	10.144	6	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	4:2:4:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5a,6]-4:O[6]-2:C-4:C-4:	C(P[6]B[5a,6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](B[5a,6]O[5a]2O[6])(O[6]B[5a,6])(CC3)2	C(P[6]B[5a,6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](B[5a,6]O[5a]2O[6])(O[6]B[5a,6])(CC3)2{1|P<4>,2|C<3>,2|O<2>}	109.7730	2.214	6	109.7730	4.903	6	109.7730	4.903	6	109.8919	6.500	12	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	4:2:4:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2	C(P[6]C[6]O[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2{1|B<4>,1|N<3>,2|O<2>}	110.0108	3.060	6	110.0108	9.363	6	110.0108	9.363	6	109.8919	6.500	12	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	4:3:4:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-3:C-4:S-1:	C(P[6]C[6]P[6]S)(CH3)3	C(CP[6]CC)(H)3	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)(S)	C(P[6]C[6]P[6]S)(CH3)3	C(CP[6]CC)(H)3	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)(S){1|C<4>,1|P<4>,2|H<1>}	109.4725	1.932	6	109.4725	3.733	6	109.4725	3.733	6	109.4309	2.947	12	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	4:3:4:1:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-3:C-4:Se-1:	C(P[6]C[6]P[6]Se)(CH3)3	C(CP[6]CC)(H)3	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)(Se)	C(P[6]C[6]P[6]Se)(CH3)3	C(CP[6]CC)(H)3	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)(Se){1|C<4>,1|P<4>,2|H<1>}	109.3893	1.657	6	109.3893	2.747	6	109.3893	2.747	6	109.4309	2.947	12	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5,6]-4:C[6]-4:C-4:C-4:	C(P[6]B[5,6]C[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](B[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(CC3)2	C(P[6]B[5,6]C[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](B[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(CC3)2{1|C<4>,2|H<1>,5|C<3>}	110.9093	1.419	6	110.9093	2.013	6	110.9093	2.013	6	110.9338	2.398	12	111.0637	7.830	167	111.1393	7.807	172
490	490	849	0:SP3_SP3_SP3	C	C	P[6]	4:4:4:4:	4:1:1:1:	4:4:4:4:	P[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-4:C-4:C-4:	C(P[6]B[6]C[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(CC3)2	C(P[6]B[6]C[6]C)(CH3)3	C(CP[6]CC)(H)3	P[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(CC3)2{1|C<4>,2|H<1>,5|C<3>}	110.9583	1.806	6	110.9583	3.262	6	110.9583	3.262	6	110.9338	2.398	12	111.0637	7.830	167	111.1393	7.807	172
490	490	852	0:SP3_SP3_SP3	C	C	P[3]	3:4:4:4:	4:1:1:1:	4:4:4:	P[3]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:P[3]-4:C-4:	C(P[3]C[3]P[3])(CH3)3	C(CP[3]CC)(H)3	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	C(P[3]C[3]P[3])(CH3)3	C(CP[3]CC)(H)3	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	108.6787	5.948	3	108.6787	35.376	3	108.6787	35.376	3	108.6787	35.376	3	108.6787	35.376	3	108.6787	35.376	3
490	490	853	0:SP3_SP2_SP3	C	C	C[3a]	3:4:1:1:	4:1:1:1:	3:3:4:	C[3a]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Si[3a]-3:C[3a]-3:C-4:	C(C[3a]Si[3a]C[3a])(CH3)(H)2	C(CC[3a]HH)(H)3	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	C(C[3a]Si[3a]C[3a])(CH3)(H)2	C(CC[3a]HH)(H)3	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	114.9820	2.455	2	114.9820	6.027	2	114.9820	6.027	2	114.9820	6.027	2	109.2670	3.289	50	109.2670	3.289	50
490	490	853	0:SP3_SP2_SP3	C	C	C[3a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[3a]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3a]-3:C[3a]-3:C-4:	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CC[3a]CC)(H)3	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CC[3a]CC)(H)3	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	109.4845	1.281	32	109.4845	1.642	32	109.4845	1.642	32	109.4845	1.642	32	109.2670	3.289	50	109.2670	3.289	50
490	490	853	0:SP3_SP2_SP3	C	C	C[3a]	3:4:4:4:	4:4:1:1:	3:3:4:	C[3a]-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[3a]-3:C[3a]-3:C-4:	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CC[3a]CC)(CCHH)(H)2	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C(C[3a]C[3a]2)(CCHH)(CH3)2	C(CC[3a]CC)(CCHH)(H)2	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	108.1178	1.041	16	108.1178	1.085	16	108.1178	1.085	16	108.1178	1.085	16	109.2670	3.289	50	109.2670	3.289	50
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CBrHH)(H)2	C(CN[3x6]HH)(Br)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CBrHH)(H)2	C(CN[3x6]HH)(Br)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	113.5704	0.185	5	113.5445	0.031	6	113.5445	0.031	6	114.5556	1.656	20	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CBrHH)(H)2	C(CN[3x6]HH)(Br)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CBrHH)(H)2	C(CN[3x6]HH)(Br)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	113.4150	0.000	1	113.5445	0.031	6	113.5445	0.031	6	114.5556	1.656	20	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CClHH)(H)2	C(CN[3x6]HH)(Cl)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CClHH)(H)2	C(CN[3x6]HH)(Cl)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	113.8240	0.000	1	113.8240	0.000	1	113.8240	0.000	1	114.5556	1.656	20	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CFHH)(H)2	C(CN[3x6]HH)(F)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CFHH)(H)2	C(CN[3x6]HH)(F)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	114.5556	1.656	20	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	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>}	115.4080	0.000	1	115.4080	0.000	1	114.9975	1.823	12	114.5556	1.656	20	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	115.1358	1.133	6	115.3113	1.720	9	114.9975	1.823	12	114.5556	1.656	20	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	115.6623	1.843	3	115.3113	1.720	9	114.9975	1.823	12	114.5556	1.656	20	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C(N[3x6]C[6,6]3)(CH3)(H)2	C(CN[3x6]HH)(H)3	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Cu<4>,3|C<4>}	113.3800	0.000	2	113.3800	0.000	2	114.9975	1.823	12	114.5556	1.656	20	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CHHO)(H)2	C(CN[3x6]HH)(OC)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C(N[3x6]C[6,6]3)(CHHO)(H)2	C(CN[3x6]HH)(OC)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<8>,3|C<4>}	118.5550	0.000	1	118.5550	0.000	1	118.5550	0.000	1	118.5550	0.000	1	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	C(CN[3x6]HH)(N[6]C[6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	C(CN[3x6]HH)(N[6]C[6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	116.5270	0.515	2	116.5270	0.265	2	116.5270	0.265	2	116.5270	0.265	2	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	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>}	116.2870	0.000	1	116.2870	0.000	1	115.4496	1.775	19	115.4496	1.775	19	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	115.7059	1.460	13	115.5115	2.117	15	115.4496	1.775	19	115.4496	1.775	19	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	114.2480	0.624	2	115.5115	2.117	15	115.4496	1.775	19	115.4496	1.775	19	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CCHH)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CCHH){3|C<4>}	114.3830	0.000	1	114.3830	0.000	1	115.4496	1.775	19	115.4496	1.775	19	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CH3)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CH3)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	115.3960	0.000	1	115.3960	0.000	1	115.4496	1.775	19	115.4496	1.775	19	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CHHS)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C(N[3x6]C[6,6]3)(CCHH)(H)2	C(CN[3x6]HH)(CHHS)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){3|C<4>}	114.8040	0.000	1	114.8040	0.000	1	115.4496	1.775	19	115.4496	1.775	19	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[3x6]	4:4:4:4:	4:1:1:1:	4:4:2:4:	N[3x6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	C(CN[3x6]CC)(H)3	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C(N[3x6]Ga[6,6]C[6,6]O[6,6])(CH3)3	C(CN[3x6]CC)(H)3	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	109.2080	1.461	9	109.2080	2.134	9	109.2080	2.134	9	109.2080	2.134	9	114.1007	7.331	51	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	116.6460	0.229	2	116.2370	0.528	3	116.2370	0.528	3	115.6317	1.817	4	115.1834	3.113	8	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C(N[6,6]C[3x6]C[6,6]H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	115.4190	0.000	1	116.2370	0.528	3	116.2370	0.528	3	115.6317	1.817	4	115.1834	3.113	8	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C(N[6,6]C[3x6]C[6,6]O)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	115.6317	1.817	4	115.1834	3.113	8	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6,6]	4:4:1:1:	4:1:1:1:	4:4:4:1:	N[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C(CN[6,6]HH)(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C(N[6,6]C[3x6]C[6,6]H)(CH3)(H)2	C(CN[6,6]HH)(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	115.1834	3.113	8	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6,6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[6,6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	C(CN[6,6]HH)(H)3	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C(N[6,6]C[6,6]C[6]2)(CH3)(H)2	C(CN[6,6]HH)(H)3	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	115.1834	3.113	8	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6,6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[6,6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	C(CN[6,6]HH)(OH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	C(N[6,6]C[6,6]C[6]2)(CHHO)(H)2	C(CN[6,6]HH)(OH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.7610	0.000	1	115.1834	3.113	8	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CN[6,6]HH)(CCHH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C(N[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CN[6,6]HH)(CCHH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	115.1834	3.113	8	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:2:1:1:	4:4:4:1:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:B-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C(CC[6a]N[6]H)(BC[6a]2C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	108.8400	0.000	1	108.8400	0.000	1	108.4340	0.330	2	108.4340	0.330	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6a]-3:N[6]-4:C-4:H-1:	C-4:B-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2H)(CBHH)(H)	C(CC[6a]N[6]H)(BC[6a]2H)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	108.0280	0.000	1	108.0280	0.000	1	108.4340	0.330	2	108.4340	0.330	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C(N[6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	112.2130	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:3:4:1:	4:1:1:1:	4:4:4:4:	N[6]-4:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)(CCHH)	C(N[6]C[6]2C)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)(CCHH){1|C<4>,4|H<1>}	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	114.0680	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	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-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C(CC[6]N[6]H)(CC[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6]CH)(H)	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C(CC[6]N[6]H)(CC[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	112.1568	0.781	4	112.1568	0.610	4	112.1568	0.610	4	112.1568	0.610	4	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	112.1786	3.517	19	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6]H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	114.2380	0.000	1	114.2380	0.000	1	114.2380	0.000	1	112.1786	3.517	19	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	111.7964	1.022	5	111.7964	1.045	5	111.7284	2.248	13	112.1786	3.517	19	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	111.6859	1.803	8	111.6859	3.252	8	111.7284	2.248	13	112.1786	3.517	19	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C(N[6]C[6]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	C(N[6]C[6]2O)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	113.5670	0.000	1	113.5670	0.000	1	113.5670	0.000	1	112.1786	3.517	19	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	112.0500	0.000	1	111.9140	0.037	2	111.9140	0.037	2	112.1786	3.517	19	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	111.7780	0.000	1	111.9140	0.037	2	111.9140	0.037	2	112.1786	3.517	19	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	112.1786	3.517	19	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	115.2357	9.973	3	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)2	C(N[6]C[6]2C)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	115.2357	9.973	3	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a,6])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	113.3290	0.000	1	113.3290	0.000	1	113.3290	0.000	1	115.2357	9.973	3	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:2:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[6]HH)(OC)(H)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	113.3960	0.000	1	113.3960	0.000	1	113.7315	0.225	2	113.7315	0.225	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:2:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C[5a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[5a]HO)(H)2	C(C[5a]C[5a]O[5a])(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	114.0670	0.000	1	114.0670	0.000	1	113.7315	0.225	2	113.7315	0.225	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	116.0560	0.000	1	114.4780	4.980	2	114.4780	4.980	2	114.4780	4.980	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C(CC[6a]C[6]H)(N[6]C[6]2H)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	112.9000	0.000	1	114.4780	4.980	2	114.4780	4.980	2	114.4780	4.980	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	3:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2	C(N[6]C[6,6a]B[6]C)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(CCHH)2{1|B<4>,1|H<1>,4|C<3>}	115.5510	0.123	2	115.5510	0.015	2	115.5510	0.015	2	115.5510	0.015	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	123.4160	0.000	1	116.6997	20.419	4	116.6997	20.419	4	113.9516	11.288	26	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	114.4610	0.746	3	116.6997	20.419	4	116.6997	20.419	4	113.9516	11.288	26	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]CC)2(CCHH)(H)	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	111.5380	0.000	1	111.5380	0.000	1	113.4520	8.821	22	113.9516	11.288	26	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	114.2760	0.000	1	113.5431	9.070	21	113.4520	8.821	22	113.9516	11.288	26	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	113.1804	1.353	15	113.5431	9.070	21	113.4520	8.821	22	113.9516	11.288	26	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	114.4846	6.100	5	113.5431	9.070	21	113.4520	8.821	22	113.9516	11.288	26	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CFHH)(H)2	C(CN[6]HH)(F)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CFHH)(H)2	C(CN[6]HH)(F)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	116.9590	0.000	1	116.9590	0.000	1	116.9590	0.000	1	115.1493	0.683	7	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	115.0250	0.000	1	115.0250	0.000	1	114.8477	0.056	6	115.1493	0.683	7	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)2	C(N[6]C[6]2C)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	114.6025	0.026	2	114.6025	0.001	2	114.8477	0.056	6	115.1493	0.683	7	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH)	C(N[6]C[6]2C)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH){1|O<2>,4|H<1>}	114.9520	0.217	3	114.9520	0.047	3	114.8477	0.056	6	115.1493	0.683	7	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	114.4530	0.000	1	113.4796	2.415	5	113.6891	1.778	18	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	113.2362	1.681	4	113.4796	2.415	5	113.6891	1.778	18	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	115.7480	1.536	2	115.7480	2.359	2	113.6891	1.778	18	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	113.1800	0.000	1	113.4100	0.865	11	113.6891	1.778	18	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	113.1070	0.000	1	113.4100	0.865	11	113.6891	1.778	18	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	113.3173	0.851	3	113.4100	0.865	11	113.6891	1.778	18	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	113.2024	0.921	5	113.4100	0.865	11	113.6891	1.778	18	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	115.2590	0.000	1	113.4100	0.865	11	113.6891	1.778	18	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C(N[6]C[6]2O)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	C(N[6]C[6]2O)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<3>,4|H<1>}	114.0280	0.000	1	114.0280	0.000	1	113.0950	1.741	2	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C(N[6]C[6]2O)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	C(N[6]C[6]2O)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	112.1620	0.000	1	112.1620	0.000	1	113.0950	1.741	2	113.6297	1.716	20	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	115.2380	0.000	1	115.7607	1.111	3	115.7607	1.111	3	115.7607	1.111	3	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	116.0220	1.346	2	115.7607	1.111	3	115.7607	1.111	3	115.7607	1.111	3	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	N[6](C[6]C[6]CC)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	112.3260	0.000	1	112.3260	0.000	1	112.9470	1.280	3	112.3537	4.623	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CC[5a]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CC[5a]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	114.2530	0.000	1	114.2530	0.000	1	112.9470	1.280	3	112.3537	4.623	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	112.2620	0.000	1	112.2620	0.000	1	112.9470	1.280	3	112.3537	4.623	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	116.0730	0.000	1	116.0730	0.000	1	113.0786	2.644	7	112.3537	4.623	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	114.0770	0.000	1	114.0770	0.000	1	113.0786	2.644	7	112.3537	4.623	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NZnC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NZnC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	112.2800	0.823	5	112.2800	0.678	5	113.0786	2.644	7	112.3537	4.623	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga[6,6]-4:C[6]-4:C-4:H-1:	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	108.9265	2.050	2	108.9265	4.202	2	108.9265	4.202	2	112.3537	4.623	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:In[6]-4:C-4:C-4:	C(N[6]In[6]C[6]C)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2	C(N[6]In[6]C[6]C)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2{2|C<3>}	115.6105	4.922	2	115.6105	24.228	2	115.6105	24.228	2	115.6105	24.228	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	5:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	108.6680	2.297	2	108.6680	5.275	2	109.4273	4.367	3	109.4273	4.367	3	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	5:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	110.9460	0.000	1	110.9460	0.000	1	109.4273	4.367	3	109.4273	4.367	3	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:1:1:	5:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	In[4,6]-5:C[6]-4:C-4:C-4:	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3)	C(N[6]In[4,6]C[6]C)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3){1|In<5>,2|C<3>}	110.8410	0.429	2	110.8410	0.184	2	110.8410	0.184	2	110.8410	0.184	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:3:2:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	115.6590	0.000	1	115.6590	0.000	1	115.6590	0.000	1	115.6590	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	115.1355	0.344	2	115.1355	0.119	2	115.1355	0.119	2	115.1355	0.119	2	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:3:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	117.1775	0.091	2	117.1775	0.008	2	116.0063	4.119	3	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6,6]C[6]H)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	113.6640	0.000	1	113.6640	0.000	1	116.0063	4.119	3	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	111.9370	0.000	1	111.9370	0.000	1	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	114.1590	0.395	2	114.1590	0.156	2	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]C[6]O)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]C[6]O)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	112.4960	0.000	1	112.4960	0.000	1	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	114.2975	0.199	2	114.2975	0.039	2	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	113.7570	1.049	3	113.7570	1.101	3	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	N[6](C[6]C[6]CC)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	114.6733	2.053	3	114.6733	4.213	3	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	114.0820	0.000	1	114.0820	0.000	1	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	113.4784	1.461	23	113.4488	1.973	37	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	113.3841	1.142	11	113.4488	1.973	37	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	113.4593	2.340	3	113.4488	1.973	37	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CClHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CClHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	113.1850	0.000	1	113.1850	0.000	1	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	113.4607	0.811	3	113.4607	0.658	3	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	114.4210	0.000	1	113.6748	2.144	17	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	113.2651	1.555	7	113.6748	2.144	17	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	113.9104	1.482	9	113.6748	2.144	17	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	111.6240	0.000	1	111.6240	0.000	1	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	113.5475	0.689	2	113.5475	0.475	2	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(COPP)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)(COPP)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	112.0610	0.000	1	112.0610	0.000	1	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	111.2725	0.209	2	111.2725	0.044	2	113.4765	1.901	77	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	114.3165	2.240	13	114.1316	5.111	14	114.1316	5.111	14	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	111.7280	0.000	1	114.1316	5.111	14	114.1316	5.111	14	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	111.1673	0.045	3	111.1673	0.002	3	111.1673	0.002	3	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	112.5362	0.751	8	112.5362	0.564	8	112.5362	0.564	8	113.4985	2.609	105	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C(N[6]C[6]2O)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	C(N[6]C[6]2O)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	116.0765	0.640	2	116.0765	0.410	2	115.7092	0.796	4	115.7092	0.796	4	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C(N[6]C[6]2O)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	C(N[6]C[6]2O)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	115.3420	1.199	2	115.3420	1.438	2	115.7092	0.796	4	115.7092	0.796	4	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C(CC[5a]C[6a]O)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	113.4040	1.304	2	113.4040	1.700	2	115.8753	2.784	11	115.8753	2.784	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	116.1156	1.172	5	116.1156	1.375	5	115.8753	2.784	11	115.8753	2.784	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	117.2613	1.050	3	117.2613	1.103	3	115.8753	2.784	11	115.8753	2.784	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C(N[6]C[6]2C)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	115.4580	0.000	1	115.4580	0.000	1	115.8753	2.784	11	115.8753	2.784	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OH)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OH)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	115.8160	0.936	2	115.8160	0.876	2	114.1196	1.889	10	114.1958	1.764	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	113.0820	0.000	1	114.0236	0.484	7	114.1196	1.889	10	114.1958	1.764	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	114.1805	0.612	6	114.0236	0.484	7	114.1196	1.889	10	114.1958	1.764	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C(N[6]C[6]2H)(CCHO)(H)2	C(CN[6]HH)(CHHS)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	111.3990	0.000	1	111.3990	0.000	1	114.1196	1.889	10	114.1958	1.764	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C(N[6]C[6]2O)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(O)	C(N[6]C[6]2O)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<4>,4|H<1>}	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	114.1958	1.764	11	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[6]-4:C-4:H-1:H-1:	B-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CBCH)(H)2	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	N[6](C[6]C[6]CC)2(CCHH)(H)	C(N[6]C[6]2H)(CBCH)(H)2	C(BC[6a]2C)(CN[6]HH)(CH3)(H)	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	116.9910	0.000	1	116.9910	0.000	1	116.9910	0.000	1	116.9910	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:3:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H)	C(N[6]C[6]2H)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)(H)	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)(H){1|N<3>,4|H<1>}	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:4:	N[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:B[6]-4:C-4:C-4:	C(N[6]B[6]C[6]C)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	C(N[6]B[6]C[6]C)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	114.2858	0.400	4	114.2858	0.160	4	114.2858	0.160	4	114.2581	0.698	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:4:1:	4:1:1:1:	4:4:4:4:	N[6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C(N[6]C[6]2C)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)2	C(N[6]C[6]2C)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)2{1|N<4>,4|H<1>}	114.2442	1.014	8	114.2442	1.028	8	114.2442	1.028	8	114.2581	0.698	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	N[6]-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H)	C(N[6]C[6]2H)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H){1|N<3>,4|H<1>}	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C(N[6]B[6]C[6]H)(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C(N[6]B[6]C[6]H)(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	108.9947	1.420	3	108.9947	2.016	3	109.0713	1.650	6	108.7771	1.590	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C(N[6]B[6]C[6]H)(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	C(N[6]B[6]C[6]H)(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	109.1480	1.446	3	109.1480	2.092	3	109.0713	1.650	6	108.7771	1.590	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C(N[6]C[6]2H)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	108.6643	1.631	3	108.6643	2.661	3	108.4828	1.640	6	108.7771	1.590	12	113.4133	5.555	275	113.5607	5.863	334
490	490	854	0:SP3_SP3_SP3	C	C	N[6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(N[6]C[6]2H)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3)(H)	C(N[6]C[6]2H)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	108.3013	1.157	3	108.3013	1.339	3	108.4828	1.640	6	108.7771	1.590	12	113.4133	5.555	275	113.5607	5.863	334
490	490	856	0:SP3_SP2_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	110.1080	6.126	15	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6,6]	3:4:1:1:	4:1:1:1:	5:4:4:	N[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5,6,6]-5:P[6,6]-4:C-4:	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	C(CN[6,6]HH)(H)3	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH)	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	C(CN[6,6]HH)(H)3	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH){2|C<3>,2|P<3>,4|C<4>}	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	110.1080	6.126	15	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6,6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6,6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C(N[6,6]C[6,6]2)(CCHH)(H)2	C(CN[6,6]HH)(CH3)(H)2	N[6,6](C[6,6]C[4,3x6]O)2(CCHH)	C(N[6,6]C[6,6]2)(CCHH)(H)2	C(CN[6,6]HH)(CH3)(H)2	N[6,6](C[6,6]C[4,3x6]O)2(CCHH){2|C<3>,2|C<4>}	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	110.1080	6.126	15	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6,6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	As[6,6]-3:P[4,6,6]-3:C-4:	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	C(CN[6,6]CC)(H)3	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3)	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	C(CN[6,6]CC)(H)3	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3){1|P<3>,2|C<3>,3|C<4>}	110.1097	0.526	3	110.1097	0.276	3	110.1097	0.276	3	110.1097	0.276	3	110.1080	6.126	15	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C(N[6,6]C[3x6]N[6,6])(CH3)3	C(CN[6,6]CC)(H)3	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C(N[6,6]C[3x6]N[6,6])(CH3)3	C(CN[6,6]CC)(H)3	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	109.2300	2.521	9	109.2300	6.354	9	109.2300	6.354	9	109.2300	6.354	9	110.1080	6.126	15	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]O)2(CC[6a]CH){3|C<3>}	112.0835	0.834	2	112.0835	0.695	2	110.2847	2.644	6	110.1444	1.855	9	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	109.3510	0.000	1	109.3510	0.000	1	110.2847	2.644	6	110.1444	1.855	9	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]C)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]C)2(CC[6a]CH){1|C<3>,2|H<1>}	110.7440	0.000	1	110.7440	0.000	1	110.2847	2.644	6	110.1444	1.855	9	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]H)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	108.7230	0.303	2	108.7230	0.092	2	110.2847	2.644	6	110.1444	1.855	9	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	110.1890	0.000	1	110.3175	0.033	2	110.3175	0.033	2	110.1444	1.855	9	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){3|H<1>,4|C<4>}	110.4460	0.000	1	110.3175	0.033	2	110.3175	0.033	2	110.1444	1.855	9	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	108.9570	0.000	1	108.9570	0.000	1	108.9570	0.000	1	110.1444	1.855	9	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	110.0350	0.045	2	110.0727	0.005	3	110.5945	1.093	4	109.9443	1.671	6	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>}	110.1480	0.000	1	110.0727	0.005	3	110.5945	1.093	4	109.9443	1.671	6	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]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>}	112.1600	0.000	1	112.1600	0.000	1	110.5945	1.093	4	109.9443	1.671	6	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH){2|C<3>}	108.6440	0.066	2	108.6440	0.004	2	108.6440	0.004	2	109.9443	1.671	6	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH){2|H<1>,5|C<4>}	113.2315	0.257	2	113.2315	0.066	2	113.2315	0.066	2	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	110.3150	0.000	1	110.3150	0.000	1	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH){1|N<3>,1|O<2>,3|C<4>}	109.9130	0.000	1	109.9130	0.000	1	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]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>}	111.3390	0.000	1	111.3390	0.000	1	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	111.8620	0.000	1	111.8620	0.000	1	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]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>}	109.3745	1.597	2	109.7308	1.108	4	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]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>}	110.0870	0.515	2	109.7308	1.108	4	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,3|H<1>}	110.1880	0.000	1	110.2310	0.270	3	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,3|H<1>}	109.7340	0.000	1	110.2310	0.270	3	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|C<3>,2|H<1>}	110.7710	0.000	1	110.2310	0.270	3	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	110.5000	0.000	1	110.5000	0.000	1	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH){1|C<4>,2|H<1>}	110.1613	0.276	3	110.1613	0.076	3	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<4>,2|H<1>,3|C<3>}	110.8430	0.000	1	110.0617	1.011	3	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|Si<4>,2|H<1>,3|C<3>}	110.4150	0.000	1	110.0617	1.011	3	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	108.9270	0.000	1	110.0617	1.011	3	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH){3|C<4>}	110.6380	0.000	1	110.6380	0.000	1	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	110.3790	0.489	2	110.3790	0.239	2	110.2671	0.582	21	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C(CC[6]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH)	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C(CC[6]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH){2|H<1>,5|C<4>}	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	111.8310	0.796	8	111.8310	0.633	8	111.8310	0.633	8	110.9636	1.695	32	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	109.2380	0.000	1	109.2380	0.000	1	110.0010	1.164	2	110.0010	1.164	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH){4|C<3>}	110.7640	0.000	1	110.7640	0.000	1	110.0010	1.164	2	110.0010	1.164	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	5:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH)	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	109.4255	1.180	2	109.4255	1.393	2	109.4255	1.393	2	109.4255	1.393	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:2:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	110.2790	1.390	2	110.2790	1.933	2	110.2790	1.933	2	110.2790	1.933	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:3:4:1:	4:3:2:1:	3:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:C[6a]-3:O-2:H-1:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	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>}	110.1875	0.243	2	110.1875	0.059	2	110.1875	0.059	2	110.1875	0.059	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	109.7190	0.000	1	109.7190	0.000	1	112.9080	7.642	3	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	C(C[6]C[6]N[6])(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	114.5025	0.173	2	114.5025	0.030	2	112.9080	7.642	3	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH)	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,4|C<4>}	110.9870	0.000	1	110.9870	0.000	1	110.9870	0.000	1	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	113.2520	0.000	1	113.2520	0.000	1	113.2520	0.000	1	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]N[6a])(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	110.9060	0.000	1	110.9060	0.000	1	110.9060	0.000	1	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.1520	0.000	1	111.8450	0.960	2	111.8450	0.960	2	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	112.5380	0.000	1	111.8450	0.960	2	111.8450	0.960	2	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>}	112.2473	0.473	4	112.2473	0.223	4	112.0279	0.224	14	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH){1|H<1>,2|C<3>}	112.0230	0.296	3	112.0230	0.088	3	112.0279	0.224	14	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	111.7957	0.752	3	111.7957	0.566	3	112.0279	0.224	14	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]C)2(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	112.1200	0.000	1	112.1200	0.000	1	112.0279	0.224	14	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	112.0660	0.676	2	112.0660	0.457	2	112.0279	0.224	14	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|H<1>}	111.6930	0.000	1	111.6930	0.000	1	112.0279	0.224	14	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	112.1770	0.144	2	112.1770	0.021	2	112.1770	0.021	2	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	109.6470	0.000	1	109.6470	0.000	1	111.8877	4.755	3	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	114.0030	0.000	1	114.0030	0.000	1	111.8877	4.755	3	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]N[5])(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	112.0130	0.000	1	112.0130	0.000	1	111.8877	4.755	3	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	109.8180	0.573	2	109.8180	0.328	2	109.9831	2.623	46	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	112.0564	1.340	5	112.0564	1.795	5	109.9831	2.623	46	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	109.7419	1.525	38	109.7258	2.273	39	109.9831	2.623	46	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	109.1120	0.000	1	109.7258	2.273	39	109.9831	2.623	46	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)2(CCHH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)2(CCHH){5|C<4>}	112.8515	0.067	2	112.8515	0.005	2	112.7323	0.045	3	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)2(CCHH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)2(CCHH){5|C<4>}	112.4940	0.000	1	112.4940	0.000	1	112.7323	0.045	3	110.8342	3.140	77	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	112.5609	4.189	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	112.6080	0.000	1	112.6080	0.000	1	111.9445	0.880	2	112.5609	4.189	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	111.2810	0.000	1	111.2810	0.000	1	111.9445	0.880	2	112.5609	4.189	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:B[6,6]-4:C-4:	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH)	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	C(N[6]B[6,6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH){1|B<3>,1|B<4>,2|C<3>}	113.9585	0.712	2	113.9585	0.507	2	113.9585	0.507	2	112.5609	4.189	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	110.0240	0.000	1	110.0240	0.000	1	110.3025	0.155	2	112.5609	4.189	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH){2|C<3>}	110.5810	0.000	1	110.5810	0.000	1	110.3025	0.155	2	112.5609	4.189	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	109.2550	0.416	2	109.2550	0.173	2	109.2550	0.173	2	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	113.0400	0.000	1	113.0400	0.000	1	113.0400	0.000	1	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	112.5690	0.000	1	112.5027	1.909	3	112.1814	0.808	12	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	112.4695	1.952	2	112.5027	1.909	3	112.1814	0.808	12	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	112.0743	0.763	9	112.0743	0.582	9	112.1814	0.808	12	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	111.3095	0.114	2	111.3095	0.013	2	112.1280	0.902	4	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	C(N[6]B[6]C[6])(CN[6]HH)(H)2	C(N[6]B[6]C[6])(CN[6]HH)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	112.9465	0.110	2	112.9465	0.012	2	112.1280	0.902	4	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,2|C<4>,2|H<1>}	114.5440	0.000	1	114.7870	0.118	2	114.0680	0.825	4	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,2|C<4>,2|H<1>}	115.0300	0.000	1	114.7870	0.118	2	114.0680	0.825	4	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){1|C<4>,3|H<1>}	113.3490	0.537	2	113.3490	0.289	2	114.0680	0.825	4	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	In[6]-4:C[6]-3:C-4:	C(N[6]In[6]C[6])(CN[6]HH)(H)2	C(N[6]In[6]C[6])(CN[6]HH)(H)2	N[6](In[6]N[6]SS)(C[6]C[6]C)(CCHH)	C(N[6]In[6]C[6])(CN[6]HH)(H)2	C(N[6]In[6]C[6])(CN[6]HH)(H)2	N[6](In[6]N[6]SS)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	113.4175	0.831	2	113.4175	0.690	2	113.4175	0.690	2	112.3230	2.034	26	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	118.7545	26.158	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	118.7545	26.158	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	2:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C(N[6]C[6]N[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH)	C(N[6]C[6]N[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C(N[6]C[6,6a]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C(N[6]C[6,6a]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|H<1>,4|C<3>}	111.8040	0.902	2	111.8040	0.814	2	111.8040	0.814	2	111.4988	0.491	4	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)(N[6]C[6])(CCHH)	C(N[6]C[6]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)(N[6]C[6])(CCHH){1|H<1>,2|C<3>}	110.8150	0.000	1	110.8150	0.000	1	111.1935	0.287	2	111.4988	0.491	4	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]Pd)(N[6]C[6])(CCHH)	C(N[6]C[6]N[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]Pd)(N[6]C[6])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	111.5720	0.000	1	111.5720	0.000	1	111.1935	0.287	2	111.4988	0.491	4	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:Br-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CBrHH)(H)2	C(CN[6]HH)(Br)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CBrHH)(H)2	C(CN[6]HH)(Br)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[5,6]-3:C[5,6]-3:C-4:	C(N[6]C[5,6]2)(CF3)(H)2	C(CN[6]HH)(F)3	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CF3)(H)2	C(CN[6]HH)(F)3	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	112.9430	0.298	2	112.9430	0.089	2	112.9430	0.089	2	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:F-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CFHH)(H)2	C(CN[6]HH)(F)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CFHH)(H)2	C(CN[6]HH)(F)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|F<1>,4|C<3>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C(N[6]C[5,6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	113.2982	0.948	9	113.3112	1.046	15	113.3112	1.046	15	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C(N[6]C[5,6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	113.3307	1.221	6	113.3112	1.046	15	113.3112	1.046	15	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH)	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	113.3500	3.799	2	113.3500	14.429	2	113.3500	14.429	2	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]S)(CCHH)	C(N[6]C[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]S)(CCHH){1|C<3>,3|C<4>}	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,5|C<3>}	110.9530	0.000	1	110.9530	0.000	1	113.7137	2.838	39	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	111.5520	0.126	2	113.7863	2.703	38	113.7137	2.838	39	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|O<2>,2|H<1>,4|C<3>}	113.4820	0.498	2	113.7863	2.703	38	113.7137	2.838	39	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|C<4>,4|C<3>}	111.7660	0.000	1	113.7863	2.703	38	113.7137	2.838	39	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	114.0178	1.643	32	113.7863	2.703	38	113.7137	2.838	39	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	113.4770	0.000	1	113.7863	2.703	38	113.7137	2.838	39	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|N<2>,4|C<3>}	110.2810	0.000	1	110.2810	0.000	1	112.4761	1.581	45	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	114.9380	0.000	1	114.9380	0.000	1	112.4761	1.581	45	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	112.2676	0.709	5	112.2676	0.502	5	112.4761	1.581	45	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	111.0220	0.000	1	112.5881	1.761	29	112.4761	1.581	45	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	112.5786	1.129	20	112.5881	1.761	29	112.4761	1.581	45	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	112.8076	1.783	8	112.5881	1.761	29	112.4761	1.581	45	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	113.2420	0.000	1	113.2420	0.000	1	112.4761	1.581	45	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	112.0711	0.837	8	112.0711	0.701	8	112.4761	1.581	45	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	111.9660	0.786	3	111.9660	0.618	3	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH){1|C<3>,2|C<4>}	112.0530	0.000	1	112.0530	0.000	1	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	112.0863	0.633	6	112.0863	0.401	6	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6,6a]S)(C[6]N[6,6]O)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6,6a]S)(C[6]N[6,6]O)(CCHH){1|C<4>,2|C<3>}	111.2090	0.000	1	111.2090	0.000	1	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.4700	0.000	1	113.1463	11.511	4	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	114.0383	3.534	3	113.1463	11.511	4	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	111.8860	0.000	1	111.8860	0.000	1	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	111.6280	0.521	3	112.2288	1.624	4	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|I<1>}	114.0310	0.000	1	112.2288	1.624	4	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	112.5480	0.000	1	111.6950	0.685	4	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.4107	0.736	3	111.6950	0.685	4	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]C)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	111.9029	0.790	19	111.9029	0.625	19	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	111.2620	0.000	1	111.2620	0.000	1	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH){2|C<3>}	108.6470	0.000	1	108.6470	0.000	1	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	108.7260	0.000	1	111.4994	4.144	52	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	110.2270	0.000	1	111.4994	4.144	52	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	111.6061	2.042	49	111.4994	4.144	52	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	110.3170	0.000	1	111.4994	4.144	52	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	111.3350	0.044	2	111.3350	0.002	2	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	112.1327	0.770	10	112.1261	0.491	12	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>}	112.0930	0.246	2	112.1261	0.491	12	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]O)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	111.7283	0.853	4	111.7283	0.727	4	111.7476	2.635	115	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-3:P[6]-3:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]Cl)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]Cl)2(CCHH){1|P<3>,2|C<4>}	113.1103	0.537	3	113.1103	0.288	3	112.8847	1.163	7	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-3:P[6]-3:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]O)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	112.9160	1.681	3	112.7155	2.045	4	112.8847	1.163	7	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-3:P[6]-3:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]O)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]O)2(CCHH){1|P<3>,2|C<4>}	112.1140	0.000	1	112.7155	2.045	4	112.8847	1.163	7	112.3803	2.898	228	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	114.0402	0.581	22	114.0402	0.337	22	114.0402	0.337	22	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	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>}	112.6760	0.000	1	112.6760	0.000	1	113.1568	1.497	6	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	114.1610	1.264	2	114.1610	1.598	2	113.1568	1.497	6	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	112.9730	1.492	2	112.6477	1.431	3	113.1568	1.497	6	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|H<1>,1|S<4>,2|C<3>}	111.9970	0.000	1	112.6477	1.431	3	113.1568	1.497	6	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	105.0236	10.713	2	105.0236	114.773	2	110.5768	22.545	10	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	110.7355	1.034	2	111.9651	1.576	8	110.5768	22.545	10	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Br<1>,1|H<1>,3|C<3>}	114.4830	0.000	1	111.9651	1.576	8	110.5768	22.545	10	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Cl<1>,1|H<1>,3|C<3>}	112.0420	0.000	1	111.9651	1.576	8	110.5768	22.545	10	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	111.9313	0.443	4	111.9651	1.576	8	110.5768	22.545	10	112.9893	8.112	38	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:6:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:Si[3x6]-6:C-4:	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	113.2947	2.016	3	113.2947	4.065	3	113.2947	4.065	3	113.2947	4.065	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C(N[6]C[6]P[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](P[6]C[6a]O[6]Pd)(C[6]C[6,6a]O)(CCHH)	C(N[6]C[6]P[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](P[6]C[6a]O[6]Pd)(C[6]C[6,6a]O)(CCHH){4|C<3>}	110.3015	0.646	2	110.3015	0.417	2	110.3290	1.971	4	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C(N[6]C[6]P[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](P[6]C[6a]O[6]Ru)(C[6]C[6,6a]O)(CCHH)	C(N[6]C[6]P[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](P[6]C[6a]O[6]Ru)(C[6]C[6,6a]O)(CCHH){4|C<3>}	112.0140	0.000	1	112.0140	0.000	1	110.3290	1.971	4	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C(N[6]C[6]P[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH)	C(N[6]C[6]P[6])(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH){4|C<3>}	108.6990	0.000	1	108.6990	0.000	1	110.3290	1.971	4	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C(N[6]C[3x6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C(N[6]C[3x6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[4,5,6]-4:C[6]-3:C-4:	C(N[6]C[4,5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH)	C(N[6]C[4,5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH){2|O<2>,3|H<1>,5|C<4>}	113.5190	0.000	1	113.5190	0.000	1	113.5190	0.000	1	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:C-4:	C(N[6]C[5,5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	C(N[6]C[5,5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH){2|O<2>,4|H<1>,5|C<4>}	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	114.7605	2.204	2	114.5703	2.537	3	113.8384	1.699	7	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	114.1900	0.000	1	114.5703	2.537	3	113.8384	1.699	7	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	113.3410	1.062	2	113.0517	0.815	3	113.8384	1.699	7	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	112.4730	0.000	1	113.0517	0.815	3	113.8384	1.699	7	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH)	C(N[6]C[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH){1|N<2>,4|C<3>}	114.0030	0.000	1	114.0030	0.000	1	113.8384	1.699	7	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH){1|Mn<8>,1|N<2>,2|C<4>,3|C<3>}	114.0760	0.000	1	114.0760	0.000	1	112.8326	0.552	14	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	112.6920	0.000	1	112.6920	0.000	1	112.8326	0.552	14	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	112.6380	0.931	2	112.6380	0.866	2	112.8326	0.552	14	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH){2|C<4>,2|H<1>}	113.1880	0.498	4	113.1880	0.248	4	112.8326	0.552	14	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCHH){2|C<4>,2|H<1>}	112.6430	0.068	2	112.6430	0.005	2	112.8326	0.552	14	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	111.6330	0.235	2	111.6330	0.055	2	112.8326	0.552	14	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,3|C<3>,3|H<1>}	113.1545	0.456	2	113.1545	0.208	2	112.8326	0.552	14	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5,6]-4:C[6]-3:C-4:	C(N[6]P[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH)	C(N[6]P[5,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH){2|C<3>,2|C<4>}	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:P[6]-3:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	112.9350	0.000	1	112.9350	0.000	1	112.9350	0.000	1	112.7906	1.974	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]OS)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	112.8110	0.000	1	112.8110	0.000	1	113.4405	0.915	4	113.4405	0.915	4	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)2(CCHH){1|P<3>,2|C<4>}	113.1640	0.000	1	113.6503	1.108	3	113.4405	0.915	4	113.4405	0.915	4	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)2(CCHH){1|P<4>,2|C<4>}	113.8935	1.364	2	113.6503	1.108	3	113.4405	0.915	4	113.4405	0.915	4	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	5:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5,6,6]-5:P[6]-3:C-4:	C(N[6]P[5,6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	C(N[6]P[5,6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH){1|P<3>,1|P<4>,2|C<3>,3|C<4>}	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	112.8660	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC)(H)2	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC)(H)2	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	111.1305	0.194	2	111.1305	0.038	2	111.2415	0.225	4	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	111.8940	0.000	1	111.8940	0.000	1	111.2415	0.225	4	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC)(H)2	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC)(H)2	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|C<3>,1|H<1>}	110.8110	0.000	1	110.8110	0.000	1	111.2415	0.225	4	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C(N[6]C[6,6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C(N[6]C[6,6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	111.3913	1.151	3	111.3913	1.325	3	111.3913	1.325	3	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	114.0140	0.614	6	114.0140	0.377	6	114.0140	0.377	6	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	114.2010	0.000	1	114.2010	0.000	1	113.5320	0.895	2	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	112.8630	0.000	1	112.8630	0.000	1	113.5320	0.895	2	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	114.3150	2.090	2	114.3150	4.369	2	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	114.7960	0.000	1	114.7960	0.000	1	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]C)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	115.0560	0.000	1	115.0560	0.000	1	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	110.3020	1.880	4	110.3020	3.534	4	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	111.7480	2.466	2	111.7480	6.083	2	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	110.6942	0.995	5	110.6942	0.989	5	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH){1|N<3>,2|C<4>}	113.6490	0.000	1	113.6490	0.000	1	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){4|C<3>}	112.3635	0.993	2	112.3635	0.987	2	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OP)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OP)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	112.3320	0.000	1	112.3320	0.000	1	111.9666	4.285	19	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC)(H)2	N[6](C[6]C[6]C)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	111.2330	0.000	1	111.2330	0.000	1	111.3837	0.022	3	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC[6a])(H)2	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC[6a])(H)2	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<2>,2|H<1>}	111.5280	0.000	1	111.5280	0.000	1	111.3837	0.022	3	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	111.3900	0.000	1	111.3900	0.000	1	111.3837	0.022	3	112.1874	3.096	39	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	113.2880	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CHHO)(H)2	C(CN[6]HH)(OB)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	C(N[6]B[6]C[6])(CHHO)(H)2	C(CN[6]HH)(OB)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	113.5770	0.000	1	113.5770	0.000	1	113.5770	0.000	1	112.9354	3.884	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	115.6800	0.000	1	113.6815	7.988	2	113.6815	7.988	2	112.9354	3.884	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>,3|H<1>}	111.6830	0.000	1	113.6815	7.988	2	113.6815	7.988	2	112.9354	3.884	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.2370	0.000	1	111.8685	3.746	2	111.8685	3.746	2	112.9354	3.884	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	110.5000	0.000	1	111.8685	3.746	2	111.8685	3.746	2	112.9354	3.884	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	6:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	Ga[3x6]-6:C[6]-3:C-4:	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH)	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH){1|H<1>,2|C<4>,5|C<3>}	112.4877	1.838	3	112.4877	3.379	3	112.4877	3.379	3	112.4877	3.379	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:2:2:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:O-2:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CHOO)(H)2	C(CN[6]HH)(OC)2(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6,6]C[6])(CHOO)(H)2	C(CN[6]HH)(OC)2(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	111.7860	0.000	1	111.7860	0.000	1	111.7860	0.000	1	111.7860	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:Br-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CBrCH)(H)2	C(CN[6]HH)(CNO)(Br)(H)	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CBrCH)(H)2	C(CN[6]HH)(CNO)(Br)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|H<1>,5|C<3>}	126.5720	0.030	2	126.5720	0.001	2	126.5720	0.001	2	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	106.1510	0.000	1	106.1510	0.000	1	111.4745	2.867	19	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	112.6990	0.000	1	112.6990	0.000	1	111.4745	2.867	19	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CNO)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CNO)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	110.9688	0.591	6	110.9688	0.349	6	111.4745	2.867	19	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	112.1238	1.179	6	112.1238	1.391	6	111.4745	2.867	19	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	114.1610	0.000	1	114.1610	0.000	1	111.4745	2.867	19	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|C<3>,1|H<1>}	111.4300	0.666	2	111.4300	0.444	2	111.4745	2.867	19	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	111.0390	0.000	1	111.0390	0.000	1	111.4745	2.867	19	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(COO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	112.5490	0.000	1	112.5490	0.000	1	111.4745	2.867	19	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C(N[6]C[6,6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C(N[6]C[6,6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	112.1508	1.452	4	112.1508	2.108	4	112.1769	2.395	7	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6]O)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	111.1325	1.025	2	111.1325	1.050	2	112.1769	2.395	7	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	114.3700	0.000	1	114.3700	0.000	1	112.1769	2.395	7	112.6388	16.138	31	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C(N[6]B[6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	C(N[6]B[6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	113.4125	1.187	6	113.4125	1.408	6	113.4125	1.408	6	113.4125	1.408	6	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>,3|C<4>}	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	112.0181	2.308	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	114.0550	0.000	1	114.0550	0.000	1	112.2064	2.058	5	112.0181	2.308	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CNO)(H)2	N[6](C[6]C[6]ZrO)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CNO)(H)2	N[6](C[6]C[6]ZrO)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	111.7442	1.149	4	111.7442	1.320	4	112.2064	2.058	5	112.0181	2.308	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|S<3>,4|H<1>}	109.9670	0.000	1	109.9670	0.000	1	109.9670	0.000	1	112.0181	2.308	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	5:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH)	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	106.3570	0.000	1	106.3570	0.000	1	106.3570	0.000	1	106.3570	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCFF)(H)2	C(CN[6]HH)(CCFF)(F)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCFF)(H)2	C(CN[6]HH)(CCFF)(F)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	111.0575	0.759	6	111.0575	0.575	6	111.0575	0.575	6	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C(N[6]C[5,6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH)	C(N[6]C[5,6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-4:	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH)	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5a,6]-3:C[5,6]-3:C-4:	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CCHH)	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CCHH){1|C<3>,4|S<2>}	113.2660	0.000	1	113.2660	0.000	1	113.2660	0.000	1	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|F<1>,1|H<1>,1|S<2>,4|C<3>}	111.9480	0.000	1	113.6591	3.529	32	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	113.4482	2.078	17	113.6591	3.529	32	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	114.7927	0.666	4	113.6591	3.529	32	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	113.7352	1.828	10	113.6591	3.529	32	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<4>,2|H<1>,4|C<3>}	113.4300	0.000	1	113.0227	0.273	3	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	112.4340	0.000	1	113.0227	0.273	3	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	113.2040	0.000	1	113.0227	0.273	3	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	112.5000	1.995	2	112.5000	3.982	2	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	111.3875	1.135	2	112.4781	2.727	9	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|O<2>,5|C<3>}	114.8640	0.000	1	112.4781	2.727	9	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	112.4440	1.578	6	112.4781	2.727	9	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	113.0667	1.811	4	112.5941	2.411	8	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	111.7010	0.000	1	112.5941	2.411	8	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	114.0000	0.000	1	112.5941	2.411	8	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	111.3925	0.691	2	112.5941	2.411	8	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	111.5610	0.322	2	111.5610	0.104	2	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH){1|S<2>,4|C<3>}	113.7510	0.000	1	113.7510	0.000	1	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CSiHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)(CSiHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	113.2090	0.000	1	113.2090	0.000	1	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	113.5595	3.215	2	113.5595	10.338	2	113.1903	3.126	60	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	111.8755	0.627	2	111.8755	0.393	2	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	111.6255	0.588	2	111.6255	0.345	2	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	112.0945	1.626	6	112.0945	2.645	6	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	112.5740	0.000	1	113.8075	0.778	4	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	114.2187	0.391	3	113.8075	0.778	4	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	112.3230	0.000	1	112.3230	0.000	1	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	112.7280	0.000	1	112.7280	0.000	1	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	113.7745	0.078	2	113.7745	0.006	2	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	112.3910	0.000	1	112.3910	0.000	1	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	109.9220	3.386	3	109.9220	11.463	3	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHI)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHI)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	113.8340	0.000	1	113.8340	0.000	1	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	112.0030	0.000	1	112.0030	0.000	1	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	112.8845	0.120	2	112.8845	0.014	2	112.3524	2.977	26	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	110.2180	0.000	1	110.2180	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	113.4590	0.000	1	113.4590	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	111.2105	0.721	4	111.2105	0.519	4	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	111.4596	0.559	5	111.4596	0.312	5	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	113.5147	2.082	8	113.5147	4.336	8	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	110.9100	0.000	1	110.9100	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	112.5230	0.000	1	112.5230	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	114.3660	6.993	2	114.3660	48.906	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	112.2007	1.352	3	112.2007	1.829	3	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	111.1490	0.000	1	111.1490	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	111.9271	1.480	14	111.9271	2.191	14	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	112.6156	1.127	54	112.6156	1.271	54	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	111.3540	0.310	2	111.3540	0.096	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	110.9845	0.360	2	110.9845	0.130	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]C)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	112.4277	0.624	12	112.4277	0.390	12	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	111.5480	0.144	2	111.5480	0.021	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|H<1>}	112.1340	0.000	1	112.1340	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Br<1>,1|C<3>}	113.1470	0.000	1	113.4317	0.223	3	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>}	113.9770	0.000	1	113.4317	0.223	3	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Zn<4>,1|C<3>,1|H<1>}	113.1710	0.000	1	113.4317	0.223	3	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	112.3810	0.274	2	111.8764	2.425	139	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<4>,1|H<1>}	111.6890	0.000	1	111.8764	2.425	139	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	110.0900	0.000	1	111.8764	2.425	139	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	112.7040	0.000	1	111.8764	2.425	139	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	111.8434	1.580	124	111.8764	2.425	139	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	113.2975	0.175	2	111.8764	2.425	139	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	112.0171	1.762	7	111.8764	2.425	139	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){3|C<3>}	112.2760	0.000	1	111.8764	2.425	139	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	112.0397	1.706	4	112.8036	5.100	5	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|H<1>,2|C<3>}	115.8590	0.000	1	112.8036	5.100	5	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<4>,1|N<3>,3|H<1>}	113.1660	0.000	1	112.6977	0.256	3	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	112.4635	0.428	2	112.6977	0.256	3	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH){1|Fe<10>,2|C<4>,3|C<3>}	112.5070	0.000	1	112.5070	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	112.4090	0.000	1	112.4090	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,4|C<3>}	111.5565	0.125	2	111.5565	0.016	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	116.6445	1.811	2	116.6445	3.279	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	111.6056	1.850	5	111.6056	3.423	5	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]C)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	112.7840	0.000	1	112.7840	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	111.7590	0.000	1	112.5035	1.109	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,2|C<3>}	113.2480	0.000	1	112.5035	1.109	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	110.6380	0.000	1	112.4375	4.710	24	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	111.7455	1.744	2	112.4375	4.710	24	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	112.5871	2.301	20	112.4375	4.710	24	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|N<3>}	112.6270	0.000	1	112.4375	4.710	24	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	113.1060	0.000	1	113.1060	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	113.0600	0.395	2	113.0600	0.156	2	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	111.5993	1.724	3	111.5993	2.973	3	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	111.4490	0.000	1	111.4490	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	110.1180	0.000	1	110.1180	0.000	1	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHS)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	111.3527	0.201	3	111.3527	0.040	3	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	110.9990	0.393	4	110.9990	0.154	4	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|C<4>}	109.3840	0.000	1	110.9806	2.697	12	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	111.1257	1.640	11	110.9806	2.697	12	112.1136	2.612	329	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	112.7180	1.096	2	112.7180	1.201	2	112.7180	1.201	2	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	109.6175	1.091	2	109.6175	1.190	2	111.3394	3.518	5	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]O)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<3>,2|C<2>}	112.4873	1.224	3	112.4873	1.499	3	111.3394	3.518	5	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SFOO)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SFOO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	110.1685	0.953	4	110.1685	0.908	4	110.8650	1.789	6	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	112.2580	0.632	2	112.2580	0.400	2	110.8650	1.789	6	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	108.5880	0.000	1	108.5880	0.000	1	108.5880	0.000	1	112.2322	2.841	438	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	114.4615	0.721	8	114.4615	0.520	8	114.4615	0.520	8	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	113.5583	0.935	3	113.5583	0.875	3	114.0072	3.515	5	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	117.0040	0.000	1	117.0040	0.000	1	114.0072	3.515	5	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|O<2>,2|H<1>,3|C<3>}	112.3570	0.000	1	112.3570	0.000	1	114.0072	3.515	5	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH){1|H<1>,2|C<4>,3|C<3>}	114.0930	0.000	1	114.0930	0.000	1	114.0930	0.000	1	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	116.1810	0.000	1	116.1810	0.000	1	112.9506	5.370	5	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH){1|Cl<1>,2|C<4>,2|H<1>}	112.5640	0.000	1	112.5640	0.000	1	112.9506	5.370	5	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|C<4>}	113.6610	0.000	1	113.6610	0.000	1	112.9506	5.370	5	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	109.7460	0.000	1	109.7460	0.000	1	112.9506	5.370	5	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	112.6010	0.000	1	112.6010	0.000	1	112.9506	5.370	5	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:Ga[6]-4:C-4:	C(N[6]Ga[6]C[6])(CCHH)(H)2	C(CN[6]HH)(CO[4]HH)(H)2	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH)	C(N[6]Ga[6]C[6])(CCHH)(H)2	C(CN[6]HH)(CO[4]HH)(H)2	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH){2|C<3>}	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	113.7500	2.648	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	C(N[6]B[6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	114.0260	1.696	2	114.0260	2.875	2	114.0260	2.875	2	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	114.6020	0.000	1	113.5776	1.988	5	113.1363	1.524	8	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	113.3215	1.488	4	113.5776	1.988	5	113.1363	1.524	8	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	112.4890	0.270	2	112.4890	0.073	2	113.1363	1.524	8	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	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>}	112.2240	0.000	1	112.2240	0.000	1	113.1363	1.524	8	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	112.4840	0.656	2	112.4840	0.431	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	113.7810	0.000	1	113.7810	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH){3|C<3>}	113.7220	0.000	1	113.7220	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<2>,1|C<4>,2|H<1>}	113.6360	0.000	1	113.6360	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,2|H<1>}	115.8980	0.000	1	115.8980	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,3|H<1>}	113.2700	0.000	1	113.2700	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<3>,1|C<4>,2|H<1>}	112.7055	0.103	2	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	113.6017	0.690	7	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	112.5592	2.793	31	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Cr<7>,1|C<4>,2|H<1>}	113.3890	0.000	1	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Cr<8>,1|C<4>,2|H<1>}	113.4870	0.000	1	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ga<4>,1|C<4>,2|H<1>}	110.0410	0.000	1	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ir<4>,1|C<4>,2|H<1>}	113.9700	0.000	1	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<4>,2|H<1>}	114.8160	0.000	2	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ni<6>,1|C<4>,2|H<1>}	112.5440	0.000	2	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Pd<4>,1|C<4>,2|H<1>}	115.9760	0.000	1	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Re<6>,1|C<4>,2|H<1>}	112.8290	0.000	1	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Zn<3>,1|C<4>,2|H<1>}	113.9840	0.000	1	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Zn<4>,1|C<4>,2|H<1>}	113.9760	0.006	2	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){2|C<4>,2|H<1>}	112.1330	0.000	1	112.9340	5.189	54	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){1|C<4>,2|H<1>}	114.5325	0.310	2	114.5325	0.096	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	114.0490	0.000	1	114.0490	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	112.3700	0.000	1	112.3700	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|N<2>,4|C<3>}	114.0150	0.686	2	114.0150	0.470	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	113.4760	0.000	1	113.4760	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	112.7635	0.209	2	112.7635	0.044	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(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>}	112.5100	0.000	1	112.7165	0.085	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	112.9230	0.000	1	112.7165	0.085	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH){1|C<4>,1|N<3>,1|O<1>}	113.4480	0.000	1	113.4480	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	113.3020	0.000	1	113.3020	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	110.8395	0.827	2	110.8395	0.683	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	112.8710	0.000	1	112.8710	0.000	1	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	112.8335	0.794	2	112.8335	0.631	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH){2|C<4>,2|H<1>}	113.5100	0.228	2	113.5100	0.052	2	113.0327	3.839	81	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	114.5990	0.000	1	114.5990	0.000	1	113.4780	2.513	2	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	112.3570	0.000	1	112.3570	0.000	1	113.4780	2.513	2	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCCH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCCH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	111.2850	0.000	1	111.2850	0.000	1	110.9523	0.503	3	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>}	111.4340	0.000	1	110.7860	0.840	2	110.9523	0.503	3	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	110.1380	0.000	1	110.7860	0.840	2	110.9523	0.503	3	113.0063	3.575	96	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	115.3990	13.376	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	118.1950	0.000	1	118.1950	0.000	1	117.4685	1.056	2	115.3990	13.376	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	116.7420	0.000	1	116.7420	0.000	1	117.4685	1.056	2	115.3990	13.376	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	5:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH)	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	111.9220	0.044	2	111.9220	0.002	2	111.9220	0.002	2	111.9220	0.002	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:2:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6])(CCHO)(H)2	C(CN[6]HH)(CHHN)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	110.4130	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:2:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CCHO)(H)2	C(CN[6]HH)(CH3)(OB)(H)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	C(N[6]B[6]C[6])(CCHO)(H)2	C(CN[6]HH)(CH3)(OB)(H)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.9890	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	110.0570	0.000	1	111.3295	3.239	2	111.3295	3.239	2	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	112.6020	0.000	1	111.3295	3.239	2	111.3295	3.239	2	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,4|C<3>}	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	114.5150	0.000	1	114.5150	0.000	1	114.7495	0.110	2	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	114.9840	0.000	1	114.9840	0.000	1	114.7495	0.110	2	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHN)(H)2	C(CN[6]HH)(CCCH)(NH3)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CCHN)(H)2	C(CN[6]HH)(CCCH)(NH3)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	116.0840	0.000	1	116.0840	0.000	1	109.8834	5.423	11	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	108.9962	0.835	6	109.2633	1.327	10	109.8834	5.423	11	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	109.6640	1.569	4	109.2633	1.327	10	109.8834	5.423	11	111.0124	6.841	17	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	111.1030	0.000	1	111.1030	0.000	1	111.1030	0.000	1	111.6615	0.624	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	112.2200	0.000	1	112.2200	0.000	1	112.2200	0.000	1	111.6615	0.624	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCCH)(H)2	C(CN[6]HH)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	114.2330	0.000	1	114.2330	0.000	1	114.2330	0.000	1	114.2330	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:2:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCCO)(H)2	C(CN[6]HH)(CH3)2(OH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(N[6]C[6]2)(CCCO)(H)2	C(CN[6]HH)(CH3)2(OH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	113.1780	5.638	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:2:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(COPP)(H)2	C(CN[6]HH)(PO3)2(OH)	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(COPP)(H)2	C(CN[6]HH)(PO3)2(OH)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	111.4990	0.000	1	111.4990	0.000	1	111.4990	0.000	1	113.1780	5.638	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	3:2:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6,6a]-3:C[6]-2:C-4:	C(N[6]C[6,6a]C[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH)	C(N[6]C[6,6a]C[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	C(N[6]C[6,6a]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	116.8713	1.586	4	116.8713	2.516	4	116.8713	2.516	4	116.2220	2.005	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CBrHH)3	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CBrHH)3	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	115.8770	0.000	1	115.8770	0.000	1	115.3563	0.274	3	116.2220	2.005	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6]C[6,6a]O)2(CCHH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	115.3620	0.000	1	115.3620	0.000	1	115.3563	0.274	3	116.2220	2.005	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)2(CHHO)2	N[6](C[6]C[6]H)2(CCHH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)2(CHHO)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	114.8300	0.000	1	114.8300	0.000	1	115.3563	0.274	3	116.2220	2.005	7	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6,6a]-3:Si[6]-4:C-4:	C(N[6]C[6,6a]Si[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH)	C(N[6]C[6,6a]Si[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>,3|N<3>}	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	117.2740	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6]C[6]HH)(C[6]N[6]Ir)(CCHH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6]C[6]HH)(C[6]N[6]Ir)(CCHH){2|C<4>,2|H<1>}	117.0295	0.606	2	117.0295	0.367	2	117.0295	0.367	2	117.0295	0.367	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:2:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(CCHH)(OC)(H)	C(CN[6]HO)(CCHH)(H)2	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)	C(N[6]C[6]N[6])(CCHH)(OC)(H)	C(CN[6]HO)(CCHH)(H)2	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[5]HH)(COO)(H)	C(C[5]C[5]N[5])(CN[6]CH)(H)2	N[6](C[6]C[6,6a]O)2(CCCH)	C(N[6]C[6]2)(CC[5]HH)(COO)(H)	C(C[5]C[5]N[5])(CN[6]CH)(H)2	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	112.6383	1.574	17	112.6383	2.477	17	112.6383	2.477	17	112.7586	2.282	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	N[6](C[6]C[6,6a]O)2(CCCH)	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a]N[5a])(CN[6]CH)(H)2	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	114.1090	0.699	2	114.1090	0.488	2	114.1090	0.488	2	112.7586	2.282	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.2690	0.000	1	113.2690	0.000	1	113.2690	0.000	1	112.7586	2.282	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH)	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	112.7586	2.282	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH)	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH){6|C<3>}	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	111.5856	0.945	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	112.4200	0.150	2	111.7130	1.511	3	111.7742	1.022	4	111.5856	0.945	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){2|C<3>,2|H<1>}	110.2990	0.000	1	111.7130	1.511	3	111.7742	1.022	4	111.5856	0.945	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	111.9580	0.000	1	111.9580	0.000	1	111.7742	1.022	4	111.5856	0.945	5	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)(COO)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]O)2(CCCH)	C(N[6]C[6]2)(CH3)(COO)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	111.6370	0.636	2	111.6370	0.405	2	111.6370	0.405	2	111.6370	0.405	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)(CNO)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)	C(N[6]C[6]2)(CH3)(CNO)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH){1|N<3>,2|C<4>,2|H<1>}	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CNO)(H)2	N[6](C[6]C[6,6a]O)2(CCCH)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CNO)(H)2	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	111.6880	1.412	16	111.6880	1.993	16	111.7852	2.469	21	111.7852	2.469	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	113.4440	0.000	1	113.4440	0.000	1	111.7852	2.469	21	111.7852	2.469	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]H)2(CCCH)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	110.7200	0.000	1	111.7595	5.530	4	111.7852	2.469	21	111.7852	2.469	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:3:1:1:	3:3:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]H)2(CCCH)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	112.1060	2.752	3	111.7595	5.530	4	111.7852	2.469	21	111.7852	2.469	21	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CC[6a]HH)(CN[6]CH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CC[6a]HH)(CN[6]CH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.8500	0.000	1	113.8500	0.000	1	113.2957	0.441	3	113.2957	0.441	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CCHH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CCHH)(H)2	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>}	113.0185	0.648	2	113.0185	0.420	2	113.2957	0.441	3	113.2957	0.441	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:4:4:1:	4:3:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	113.7050	0.000	1	113.7050	0.000	1	113.6265	0.012	2	113.6265	0.012	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:3:1:	4:4:4:1:	4:3:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH)	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH){1|H<1>,5|C<3>}	113.5480	0.000	1	113.5480	0.000	1	113.6265	0.012	2	113.6265	0.012	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	3:4:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH)	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH){3|C<4>}	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-2:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	111.0016	1.584	10	110.9230	2.201	12	110.9230	2.201	12	109.9979	0.679	98	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-2:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|H<1>,4|C<3>}	110.5300	1.123	2	110.9230	2.201	12	110.9230	2.201	12	109.9979	0.679	98	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]Ir)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]Ir)(N[6]C[6])(CCCH){1|H<1>,2|C<3>}	109.8215	0.405	2	109.8215	0.164	2	109.8688	0.353	86	109.9979	0.679	98	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CCCH){1|H<1>,2|C<3>}	109.8530	0.979	2	109.8530	0.958	2	109.8688	0.353	86	109.9979	0.679	98	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<2>}	109.9353	0.521	50	109.8703	0.356	82	109.8688	0.353	86	109.9979	0.679	98	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	109.8826	0.729	18	109.8703	0.356	82	109.8688	0.353	86	109.9979	0.679	98	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<2>,2|C<4>}	109.9527	0.452	4	109.8703	0.356	82	109.8688	0.353	86	109.9979	0.679	98	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<3>,2|C<3>}	109.4908	0.686	10	109.8703	0.356	82	109.8688	0.353	86	109.9979	0.679	98	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(Cl)(H)2	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(Cl)(H)2	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH){1|C<4>,2|H<1>}	112.8910	0.000	1	112.8910	0.000	1	112.8910	0.000	1	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-3:C[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]N[6]H)(C[6]N[6]N)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]N[6]H)(C[6]N[6]N)(CCCH){3|C<4>}	110.9840	2.251	2	110.9840	5.069	2	110.9840	5.069	2	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:As[6]-3:C-4:	C(N[6]C[6,6a]As[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH)	C(N[6]C[6,6a]As[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH){1|C<4>,1|H<1>,3|C<3>}	111.6755	0.756	4	111.6755	0.572	4	111.6755	0.572	4	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	111.0186	1.348	8	111.0186	1.818	8	111.4918	1.643	28	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH){1|H<1>,4|C<3>}	112.8498	1.063	4	112.8498	1.129	4	111.4918	1.643	28	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	111.4060	0.247	2	111.4060	0.061	2	111.4918	1.643	28	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH){1|H<1>,4|C<3>}	112.6705	0.507	2	112.6705	0.257	2	111.4918	1.643	28	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>,1|F<1>,2|C<3>}	110.9169	1.067	8	110.8719	0.957	10	111.4918	1.643	28	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	110.6920	0.750	2	110.8719	0.957	10	111.4918	1.643	28	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH){1|H<1>,2|C<3>,2|C<4>}	112.6750	0.839	2	112.6750	0.703	2	111.4918	1.643	28	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,1|N<3>,4|O<2>}	110.7640	1.043	4	110.7640	1.088	4	111.4362	5.461	48	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]O)2(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	113.8423	2.248	12	113.8423	5.055	12	111.4362	5.461	48	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	110.5535	0.718	4	110.5535	0.516	4	111.4362	5.461	48	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	110.9013	2.042	4	110.9013	4.168	4	111.4362	5.461	48	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]H)2(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	110.3649	2.363	16	110.3649	5.583	16	111.4362	5.461	48	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	111.3820	1.884	2	111.3820	3.548	2	111.4362	5.461	48	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH){1|B<4>,2|C<4>}	110.7985	0.665	2	110.7985	0.443	2	111.4362	5.461	48	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH){1|B<4>,1|C<4>}	110.9387	0.313	4	110.9387	0.098	4	111.4362	5.461	48	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|N<2>}	110.4435	0.319	2	110.4435	0.102	2	110.4435	0.102	2	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	110.8745	0.490	2	110.8745	0.240	2	110.8637	0.849	16	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	110.9416	1.039	10	110.9416	1.079	10	110.8637	0.849	16	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](N[6]C[6]Pt)(C[6]N[6]O)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](N[6]C[6]Pt)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	110.6637	0.924	4	110.6637	0.853	4	110.8637	0.849	16	111.3562	3.300	101	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	111.7512	0.243	6	111.7512	0.059	6	111.7512	0.059	6	111.9792	3.558	12	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH){1|H<1>,3|C<3>}	110.2950	1.771	2	110.2950	3.135	2	110.5208	1.254	4	111.9792	3.558	12	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH){1|C<4>,3|C<3>}	110.7465	0.650	2	110.7465	0.422	2	110.5208	1.254	4	111.9792	3.558	12	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:S[6]-4:C-4:	C(N[6]C[6]S[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH)	C(N[6]C[6]S[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH){1|H<1>,2|C<3>}	115.5800	0.578	2	115.5800	0.335	2	115.5800	0.335	2	111.9792	3.558	12	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-2:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH){2|C<4>,2|H<1>}	111.8303	0.269	4	111.8303	0.072	4	111.8303	0.072	4	111.8303	0.072	4	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3x6]-4:C[6]-3:C-4:	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH)	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH){1|B<4>,2|H<1>,5|C<4>}	111.8603	2.965	4	111.8603	8.789	4	111.6873	4.011	12	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3x6]-4:C[6]-3:C-4:	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){1|C<3>,2|H<1>,5|C<4>}	111.2682	1.340	4	111.6008	2.510	8	111.6873	4.011	12	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[3x6]-4:C[6]-3:C-4:	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	C(N[6]B[3x6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){2|H<1>,6|C<4>}	111.9333	1.941	4	111.6008	2.510	8	111.6873	4.011	12	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5,6]-4:C[6]-3:C-4:	C(N[6]B[5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH)	C(N[6]B[5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	111.8440	0.355	4	111.8440	0.126	4	111.8440	0.126	4	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH){1|C<4>,4|C<3>}	111.3685	0.736	8	111.3685	0.541	8	111.6826	1.328	16	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){1|C<4>,5|C<3>}	111.6780	2.220	2	111.4758	1.724	4	111.6826	1.328	16	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){2|C<4>,5|C<3>}	111.2735	0.281	2	111.4758	1.724	4	111.6826	1.328	16	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH){2|C<4>,5|C<3>}	113.5065	1.801	2	113.5065	3.244	2	111.6826	1.328	16	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.5285	0.244	2	111.5285	0.060	2	111.6826	1.328	16	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4,5,6]-4:C[6]-3:C-4:	C(N[6]C[4,5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH)	C(N[6]C[4,5,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	111.6035	0.306	2	111.6035	0.094	2	111.6035	0.094	2	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:B[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH)	C(N[6]B[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH){1|C<3>,2|C<4>}	111.1315	0.694	2	111.1315	0.481	2	111.1315	0.481	2	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	110.3018	1.487	26	110.2526	2.021	30	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<3>,2|H<1>}	109.9327	0.978	4	110.2526	2.021	30	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH){2|C<4>,2|H<1>}	111.7187	0.822	12	111.7187	0.676	12	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCCH){2|C<4>,2|H<1>}	111.3710	0.433	4	111.3710	0.188	4	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,3|C<3>,3|H<1>}	112.1410	1.884	2	112.1410	3.548	2	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	111.1695	1.008	2	111.8837	1.171	4	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|Ta<12>,1|C<4>,1|N<3>}	112.5980	0.676	2	111.8837	1.171	4	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH){1|B<3>,2|C<4>}	110.8170	0.427	2	110.8170	0.182	2	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	111.1128	0.547	4	111.1128	0.300	4	110.8894	1.814	58	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ga[6]-4:C[6]-3:C-4:	C(N[6]Ga[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH)	C(N[6]Ga[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	109.9465	0.074	2	109.9465	0.006	2	109.9660	0.087	4	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ga[6]-4:C[6]-3:C-4:	C(N[6]Ga[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH)	C(N[6]Ga[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	109.9855	0.504	2	109.9855	0.254	2	109.9660	0.087	4	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ge[6]-4:C[6]-3:C-4:	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ge[6]N[6]ClCu)(C[6]C[6]C)(CCCH)	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ge[6]N[6]ClCu)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	112.3522	1.621	4	112.3522	2.629	4	111.2224	1.518	20	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ge[6]-4:C[6]-3:C-4:	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ge[6]N[6]CuC)(C[6]C[6]C)(CCCH)	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ge[6]N[6]CuC)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	111.1007	1.034	12	111.1007	1.070	12	111.2224	1.518	20	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ge[6]-4:C[6]-3:C-4:	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ge[6]N[6]CuH)(C[6]C[6]C)(CCCH)	C(N[6]Ge[6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ge[6]N[6]CuH)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	110.4578	0.723	4	110.4578	0.522	4	111.2224	1.518	20	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH)	C(N[6]C[6]S[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH){1|O<2>,2|C<3>}	112.8040	0.361	2	112.8040	0.130	2	112.8040	0.130	2	111.1793	1.874	120	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	C(N[6]P[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	111.7885	0.568	2	111.7885	0.322	2	111.7885	0.322	2	111.7885	0.322	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	5:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C(N[6]Ga[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH)	C(N[6]Ga[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	113.3835	0.607	2	113.3835	0.369	2	113.3835	0.369	2	113.3835	0.369	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	6:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[6,6]-6:C[6]-3:C-4:	C(N[6]Si[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	C(N[6]Si[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	113.0790	1.044	2	113.0790	1.089	2	113.0790	1.089	2	113.0790	1.089	2	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(CN[6]CH)(OH)(H)2	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH)	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	C(CN[6]CH)(OH)(H)2	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH){3|C<4>}	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH)	C(N[6]C[6,6a]C[6])(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	111.4560	1.731	4	111.4560	2.995	4	111.4560	2.995	4	112.1827	2.831	24	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	N[6](C[6]C[6,6a]O)2(CCCH)	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CCHH)(H)2	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	113.5242	2.903	4	113.5242	8.430	4	112.3280	2.821	20	112.1827	2.831	24	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:4:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	N[6](C[6]C[6,6a]O)2(CCCH)	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	112.0289	1.188	16	112.0289	1.410	16	112.3280	2.821	20	112.1827	2.831	24	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH){1|C<4>,2|H<1>}	111.0250	0.000	1	111.0250	0.000	1	111.0250	0.000	1	111.0250	0.000	1	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	2:2:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se[6]-2:Se[6]-2:C-4:	C(N[6]Se[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](Se[6]N[6])2(CC3)	C(N[6]Se[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](Se[6]N[6])2(CC3){1|Se<2>,2|C<4>}	109.0557	2.175	3	109.0557	4.732	3	109.0557	4.732	3	109.0557	4.732	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:Ge[6]-2:C-4:	C(N[6]Ge[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]N[6]O)(Ge[6]N[6])(CC3)	C(N[6]Ge[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]N[6]O)(Ge[6]N[6])(CC3){1|B<3>,2|C<3>}	110.0253	1.555	6	110.0253	2.419	6	110.0253	2.419	6	109.0930	5.267	15	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CC3)	C(N[6]C[6]N[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CC3){1|H<1>,2|C<3>}	109.4657	4.070	3	109.4657	16.566	3	109.4657	16.566	3	109.0930	5.267	15	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C(N[6]C[6]O[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3)	C(N[6]C[6]O[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3){2|C<3>,2|O<2>}	107.9743	1.754	6	107.9743	3.075	6	107.9743	3.075	6	109.0930	5.267	15	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[6]-3:C[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3)	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3){1|C<4>,3|H<1>}	110.0512	0.695	6	110.0512	0.483	6	110.0512	0.483	6	109.5747	1.002	12	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3){1|C<3>,1|H<1>,2|C<4>}	109.0983	1.085	6	109.0983	1.176	6	109.0983	1.176	6	109.5747	1.002	12	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C(N[6]C[6,6a]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){1|C<4>,2|C<3>,3|H<1>}	110.4200	1.516	3	110.4200	2.297	3	110.4200	2.297	3	110.4200	2.297	3	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:2:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-2:C-4:	C(N[6]C[6]P[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)(P[6]N[6])(CC3)	C(N[6]C[6]P[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)(P[6]N[6])(CC3){2|C<4>,2|H<1>}	109.5503	1.607	3	109.5503	2.582	3	109.5503	2.582	3	109.3408	2.007	6	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:2:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:S[6]-2:C-4:	C(N[6]P[6]S[6])(CH3)3	C(CN[6]CC)(H)3	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	C(N[6]P[6]S[6])(CH3)3	C(CN[6]CC)(H)3	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	109.1313	1.518	3	109.1313	2.303	3	109.1313	2.303	3	109.3408	2.007	6	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3)	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3){2|C<4>,4|C<3>}	110.2723	0.789	3	110.2723	0.622	3	110.2723	0.622	3	110.1932	1.311	33	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:B[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	110.5361	0.833	9	110.5734	0.667	12	110.5734	0.667	12	110.1932	1.311	33	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:B[6]-3:C-4:	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<4>,4|H<1>}	110.6853	0.932	3	110.5734	0.667	12	110.5734	0.667	12	110.1932	1.311	33	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>,4|H<1>}	109.7417	0.953	6	109.7867	0.928	9	109.6825	1.046	12	110.1932	1.311	33	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,3|C<3>,3|H<1>}	109.8767	1.192	3	109.7867	0.928	9	109.6825	1.046	12	110.1932	1.311	33	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	109.3700	1.359	3	109.3700	1.847	3	109.6825	1.046	12	110.1932	1.311	33	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-4:C[6]-3:C-4:	C(N[6]Nb[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](Nb[6]N[6]NN)(C[6]C[6]C)(CC3)	C(N[6]Nb[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](Nb[6]N[6]NN)(C[6]C[6]C)(CC3){1|H<1>,2|C<3>}	110.0347	2.660	3	110.0347	7.074	3	110.0347	7.074	3	110.1932	1.311	33	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP2_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,6]-4:C[6]-3:C-4:	C(N[6]Si[4,6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3)	C(N[6]Si[4,6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3){1|Si<4>,1|Si<5>,1|C<4>,3|C<3>}	110.7943	0.914	3	110.7943	0.835	3	110.7943	0.835	3	110.1932	1.311	33	111.8991	4.062	1662	111.8831	4.105	1677
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6,6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	C(CN[6,6]C[6a]H)(H)3	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	C(CN[6,6]C[6a]H)(H)3	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH){2|C<4>,4|C<3>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH){1|C<3>,3|C<4>,3|H<1>}	118.9640	0.000	1	118.9640	0.000	1	118.9640	0.000	1	118.9640	0.000	1	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(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>}	116.9100	0.000	1	116.9100	0.000	1	117.5380	1.615	13	117.5380	1.615	13	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	117.6330	0.153	2	117.5903	1.723	12	117.5380	1.615	13	117.5380	1.615	13	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,2|H<1>,4|C<4>}	114.0720	0.000	1	117.5903	1.723	12	117.5380	1.615	13	117.5380	1.615	13	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	118.5030	0.658	4	117.5903	1.723	12	117.5380	1.615	13	117.5380	1.615	13	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	118.2030	0.000	1	117.5903	1.723	12	117.5380	1.615	13	117.5380	1.615	13	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<4>,3|C<3>}	117.5130	0.000	1	117.5903	1.723	12	117.5380	1.615	13	117.5380	1.615	13	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|C<4>,3|H<1>}	118.2840	0.000	1	117.5903	1.723	12	117.5380	1.615	13	117.5380	1.615	13	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	116.8670	0.093	2	117.5903	1.723	12	117.5380	1.615	13	117.5380	1.615	13	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C(N[6,6]C[3x6]2)(CH3)(H)2	C(CN[6,6]HH)(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	C(N[6,6]C[3x6]2)(CH3)(H)2	C(CN[6,6]HH)(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH){1|C<4>,3|C<3>,3|H<1>}	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	112.7320	0.000	1	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6,6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(CHHN)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH)	C(N[6,6]C[6,6]2)(CHHN)(H)2	C(CN[6,6]HH)(NGaHH)(H)2	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH){8|C<3>}	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	111.8850	0.000	1	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:2:1:	4:1:1:1:	4:4:4:	N[6,6]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	C(CN[6,6]CH)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	C(CN[6,6]CH)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:3:1:	4:1:1:1:	4:4:4:	N[6,6]-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	C(CN[6,6]CH)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	C(CN[6,6]CH)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	112.3900	0.000	1	112.3900	0.000	1	112.3900	0.000	1	112.3900	0.000	1	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:4:3:	4:1:1:1:	4:4:4:	N[6,6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(CH3)2(CNO)	C(CN[6,6]CC)(H)3	N[6,6](C[6,6]C[6]2H)2(CC3)	C(N[6,6]C[6,6]2)(CH3)2(CNO)	C(CN[6,6]CC)(H)3	N[6,6](C[6,6]C[6]2H)2(CC3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	113.7975	4.024	2	114.0007	11.955	4	114.0007	11.955	4	114.0007	11.955	4	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:4:3:	4:1:1:1:	4:4:4:	N[6,6]-3:C-4:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C(N[6,6]C[6,6]2)(CH3)2(CNO)	C(CN[6,6]CC)(H)3	N[6,6](C[6,6]C[6]2H)2(CC3)	C(N[6,6]C[6,6]2)(CH3)2(CNO)	C(CN[6,6]CC)(H)3	N[6,6](C[6,6]C[6]2H)2(CC3){2|C<4>,8|H<1>}	114.2040	4.417	2	114.0007	11.955	4	114.0007	11.955	4	114.0007	11.955	4	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	As[6,6]-3:P[4,6,6]-3:C-4:	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	C(CN[6,6]CC)(H)3	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3)	C(N[6,6]P[4,6,6]As[6,6])(CH3)3	C(CN[6,6]CC)(H)3	N[6,6](As[6,6]N[6,6]C[6a])(P[4,6,6]N[4,6]2)(CC3){1|P<3>,2|C<3>,3|C<4>}	110.0110	0.763	3	110.0110	0.582	3	110.0110	0.582	3	110.0110	0.582	3	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	N[6,6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C(N[6,6]C[3x6]N[6,6])(CH3)3	C(CN[6,6]CC)(H)3	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	C(N[6,6]C[3x6]N[6,6])(CH3)3	C(CN[6,6]CC)(H)3	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	109.7088	3.622	12	109.7088	13.121	12	109.7088	13.121	12	109.7088	13.121	12	113.3284	18.404	38	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	3:4:2:1:	4:4:4:	C[5a]-3:N[6]-3:C-4:H-1:	C[5a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	N[6](C[6]C[6]HH)2(CC[5a]CH)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	C(C[5a]C[5a]O[5a])(CC[5a]N[6]H)(OC)(H)	N[6](C[6]C[6]HH)2(CC[5a]CH){1|O<2>,4|H<1>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	109.2945	0.250	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	3:4:2:1:	4:4:4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	N[6](C[6]C[6]HH)2(CC[6]CH)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(CC[6]N[6]H)(OH)(H)	N[6](C[6]C[6]HH)2(CC[6]CH){1|O<2>,4|H<1>}	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	109.2945	0.250	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:2:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	110.2190	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	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>}	113.3460	0.000	1	113.3460	0.000	1	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	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>}	114.0470	0.000	1	114.0470	0.000	1	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	113.5010	0.000	1	113.5010	0.000	1	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]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>}	114.2270	0.000	1	112.6770	4.805	2	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	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>}	111.1270	0.000	1	112.6770	4.805	2	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	110.8540	0.000	1	111.0520	0.078	2	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,3|H<1>}	111.2500	0.000	1	111.0520	0.078	2	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6]HH)2(CC[6a]CH){2|C<4>,3|C<3>}	112.7140	1.426	2	112.7140	2.032	2	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	112.5020	0.161	4	112.5020	0.026	4	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	112.4540	0.000	1	112.4540	0.000	1	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	114.6100	0.000	1	114.6100	0.000	1	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]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>}	112.0490	0.000	1	112.6444	1.659	5	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	113.6300	0.000	1	112.6444	1.659	5	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	112.5143	1.622	3	112.6444	1.659	5	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6]HH)2(CC[6a]CH){3|C<3>}	112.1063	2.218	3	112.1063	4.920	3	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.7130	3.145	5	111.7130	9.894	5	112.4628	2.948	28	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	116.3160	0.000	1	116.3160	0.000	1	116.2713	0.020	3	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	116.3860	0.000	1	116.2490	0.038	2	116.2713	0.020	3	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH){1|S<2>,4|H<1>}	116.1120	0.000	1	116.2490	0.038	2	116.2713	0.020	3	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	110.3280	0.000	1	110.3280	0.000	1	110.3280	0.000	1	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	110.7190	0.730	3	110.7190	0.534	3	110.8077	0.387	4	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	C(CC[6a]N[6]H)(H)3	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH){2|C<3>}	111.0740	0.000	1	111.0740	0.000	1	110.8077	0.387	4	112.4358	3.966	38	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:2:1:1:	3:3:4:	N[6]-3:C[6a]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[6]H)(OC)(H)2	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	C(CC[6a]N[6]H)(OC)(H)2	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH){1|N<3>,1|O<1>,2|C<3>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:2:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	C(CC[6a]N[6]H)(OH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<3>,4|H<1>}	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	B[6a]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH)	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	C(CB[6a]N[6]H)(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH){2|C<3>,2|H<1>}	112.5210	0.000	1	112.5210	0.000	1	112.5210	0.000	1	111.1560	1.225	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C(CC[6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	C(CC[6a]N[6]H)(CC[6a]O)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	110.1990	0.000	1	110.1990	0.000	1	110.1990	0.000	1	111.1560	1.225	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:3:1:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:F-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(F)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	110.9520	0.902	2	110.9520	0.814	2	110.9520	0.814	2	111.1560	1.225	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:3:2:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	C(CC[6a]N[6]H)(CC[5a]O)(OC)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	106.1650	0.000	1	106.1650	0.000	1	106.1650	0.000	1	107.6960	1.061	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:3:2:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	108.0230	0.000	1	108.0230	0.000	1	108.2063	0.029	3	107.6960	1.061	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:3:2:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	108.2330	0.000	1	108.2980	0.008	2	108.2063	0.029	3	107.6960	1.061	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:3:2:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	108.3630	0.000	1	108.2980	0.008	2	108.2063	0.029	3	107.6960	1.061	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:3:3:1:	4:4:4:	C[6a]-3:N[6]-3:C-4:H-1:	C-4:C-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	C(CC[6a]N[6]H)(COO)2(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	C(CC[6a]N[6]H)(COO)2(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:3:4:1:	4:4:1:1:	4:4:4:	C[5a]-3:N[6]-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	C(CC[5a]N[6]H)(CC3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	C(CC[5a]N[6]H)(CC3)(H)2	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>}	110.3410	0.000	1	110.3410	0.000	1	110.3410	0.000	1	110.3410	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	115.7100	0.287	2	115.7100	0.082	2	115.7100	0.082	2	115.7100	0.082	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:2:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH)	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	116.1450	0.000	1	116.1450	0.000	1	116.1450	0.000	1	116.1450	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,4|C<3>}	116.4900	0.000	1	116.5132	0.219	6	116.5132	0.219	6	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,3|C<3>}	116.5178	0.523	5	116.5132	0.219	6	116.5132	0.219	6	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[5a]HH)(H)2	C(C[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|H<1>,3|C<3>}	115.0450	0.000	1	115.0450	0.000	1	115.0450	0.000	1	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	112.0360	0.205	5	112.0360	0.042	5	112.3474	0.846	14	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	111.8808	0.645	4	112.4509	1.390	8	112.3474	0.846	14	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	112.5467	1.261	3	112.4509	1.390	8	112.3474	0.846	14	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	114.4440	0.000	1	112.4509	1.390	8	112.3474	0.846	14	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	C(C[6a]N[6a]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	113.0770	0.000	1	113.0770	0.000	1	112.3474	0.846	14	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	114.6060	2.149	3	114.6060	4.620	3	113.9703	2.754	9	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	113.6900	0.000	1	113.9887	0.673	4	113.9703	2.754	9	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5,6a]C[5])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	114.0883	0.974	3	113.9887	0.673	4	113.9703	2.754	9	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[5]HH)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	112.9800	2.756	2	112.9800	7.597	2	113.9703	2.754	9	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	112.5345	0.644	2	112.2640	0.298	4	112.2640	0.298	4	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[5a]HH)(H)2	C(N[5a]C[5a,6a]C[5a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	111.9935	0.432	2	112.2640	0.298	4	112.2640	0.298	4	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	110.5591	1.648	10	110.5591	2.717	10	113.6866	10.367	27	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	115.4410	0.000	1	112.7840	6.090	5	113.6866	10.367	27	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.1197	2.276	4	112.7840	6.090	5	113.6866	10.367	27	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	115.8508	0.132	4	115.8508	0.017	4	113.6866	10.367	27	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){3|C<4>}	117.1302	0.467	6	117.0780	1.149	8	113.6866	10.367	27	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	C(N[6]C[6]2)(CN[6]HH)(H)2	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	116.9215	2.624	2	117.0780	1.149	8	113.6866	10.367	27	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	C(N[6]P[6,6]C[6])(CN[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	113.7318	7.354	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:2:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OC)(H)	N[6](C[6]C[6]HH)2(CCHH){2|C<4>,3|H<1>}	111.3450	1.409	2	111.3450	1.984	2	111.2863	1.002	3	111.2863	1.002	3	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:2:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[6a]HO)(H)2	C(C[6a]C[6a]2)(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH){2|C<4>,3|H<1>}	111.1690	0.000	1	111.1690	0.000	1	111.2863	1.002	3	111.2863	1.002	3	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:4:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[5]CH)(H)2	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	N[6](C[6]C[6]CC)2(CCHH)	C(N[6]C[6]2)(CN[5]CH)(H)2	C(N[5]N[5]O[5])(CN[6]HH)(CCCH)(H)	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	113.4440	0.000	1	113.4440	0.000	1	113.9740	0.562	2	113.9740	0.562	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	3:4:4:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CN[5]CH)(H)2	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	N[6](C[6]C[6]CC)2(CCHH)	C(N[6]C[6]2)(CN[5]CH)(H)2	C(N[5]N[5]O[5])(CN[6]HH)(CH3)(H)	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	114.5040	0.000	1	114.5040	0.000	1	113.9740	0.562	2	113.9740	0.562	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|F<1>,4|C<3>}	111.1320	0.000	1	112.4523	1.308	3	112.4523	1.308	3	112.4065	0.881	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	113.1125	0.045	2	112.4523	1.308	3	112.4523	1.308	3	112.4065	0.881	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-3:P[6]-3:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]O)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	112.4065	0.881	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH)	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	112.6920	0.000	1	112.6920	0.000	1	112.6920	0.000	1	112.4200	0.148	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	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>}	112.1480	0.000	1	112.1480	0.000	1	112.1480	0.000	1	112.4200	0.148	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6,6]-4:P[6]-3:C-4:	C(N[6]P[6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH)	C(N[6]P[6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH){1|P<3>,1|P<5>,3|C<4>}	113.8460	0.604	2	113.8460	0.365	2	113.8460	0.365	2	112.1400	4.057	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:P[6]-3:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	112.1400	4.057	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	112.1400	4.057	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	114.0770	2.903	3	114.0770	8.429	3	113.9146	4.496	5	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	C(N[6]C[6]2)(CClHH)(H)2	C(CN[6]HH)(Cl)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	113.6710	0.964	2	113.6710	0.930	2	113.9146	4.496	5	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	112.2130	0.000	1	112.7390	1.242	3	113.3634	1.014	18	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	113.0020	1.438	2	112.7390	1.242	3	113.3634	1.014	18	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	112.6400	1.030	2	113.4883	0.954	15	113.3634	1.014	18	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	113.6188	0.941	13	113.4883	0.954	15	113.3634	1.014	18	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	113.3983	0.420	3	113.3983	0.177	3	113.3954	1.182	26	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	112.3870	0.000	1	112.3870	0.000	1	113.3954	1.182	26	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>}	112.2600	0.000	1	112.2600	0.000	1	113.3954	1.182	26	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	113.7145	0.528	13	113.8695	1.069	15	113.3954	1.182	26	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	114.8770	3.046	2	113.8695	1.069	15	113.3954	1.182	26	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]N[5,6]HH)2(CCHH)	C(N[6]C[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	112.5660	0.940	6	112.5660	0.884	6	113.3954	1.182	26	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	101.0630	0.000	1	101.0630	0.000	1	111.2156	15.456	9	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,2|P<4>}	112.4846	1.048	8	112.4846	1.098	8	111.2156	15.456	9	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]OS)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	113.9770	1.489	2	113.9770	2.218	2	114.9873	4.171	3	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)2(CCHH)	C(N[6]P[6]2)(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[6]N[6]SeO)2(CCHH){1|P<4>,2|C<4>}	117.0080	0.000	1	117.0080	0.000	1	114.9873	4.171	3	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C(N[6]C[6]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]S[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH){1|N<2>,2|C<3>}	111.4145	0.186	2	111.4145	0.035	2	111.4145	0.035	2	113.1290	4.063	63	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:1:1:1:	5:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[5,6,6]-5:P[6]-3:C-4:	C(N[6]P[5,6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	C(N[6]P[5,6,6]P[6])(CH3)(H)2	C(CN[6]HH)(H)3	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH){1|P<3>,1|P<4>,2|C<3>,3|C<4>}	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	110.8240	0.000	1	110.8240	0.000	1	111.3623	1.727	3	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6])(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6])(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.8600	0.000	1	112.8600	0.000	1	111.3623	1.727	3	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	110.4030	0.000	1	110.4030	0.000	1	111.3623	1.727	3	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6]C[6])(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.9975	1.513	2	112.9975	2.288	2	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6])(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6])(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.4250	0.505	3	112.4250	0.255	3	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	113.7926	1.770	29	113.7687	2.819	36	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	113.8723	0.969	4	113.7687	2.819	36	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	113.4000	1.955	3	113.7687	2.819	36	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	113.9115	1.412	2	113.9115	1.994	2	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,2|H<1>,2|O<2>}	110.8960	0.000	1	110.8960	0.000	1	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	114.3613	2.479	6	114.5033	3.888	9	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	114.7873	0.067	3	114.5033	3.888	9	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6a]C[6]H)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]C[6a]C[6]H)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	115.3485	1.927	2	115.3485	3.713	2	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(OH)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	113.5055	1.443	4	113.5055	2.082	4	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(ON[5])(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHO)(H)2	C(CN[6]HH)(ON[5])(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	114.6870	0.000	1	114.6870	0.000	1	113.7933	2.887	60	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SC[6a])(H)2	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	111.9390	0.214	2	111.9390	0.046	2	113.4825	5.335	4	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SRe)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SRe)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,4|H<1>}	116.8190	0.000	1	115.0260	6.430	2	113.4825	5.335	4	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SRe)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SRe)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	113.2330	0.000	1	115.0260	6.430	2	113.4825	5.335	4	113.6266	3.192	68	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CCH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CC[6a]O)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	112.2237	0.470	4	112.2237	0.221	4	112.2237	0.221	4	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC[5]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CC[5]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	114.2150	0.000	1	114.2150	0.000	1	112.8840	2.237	4	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	114.1360	0.000	1	114.1360	0.000	1	112.8840	2.237	4	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	111.5925	0.186	2	111.5925	0.035	2	112.8840	2.237	4	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[5,6]C[6])(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCC)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	113.5985	0.011	2	113.5985	0.000	2	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	112.5300	0.432	6	112.4105	1.116	12	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.2910	1.495	6	112.4105	1.116	12	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[5]H)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[5]H)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	110.4930	0.000	1	110.4930	0.000	1	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6]H)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6]H)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.0310	0.000	1	112.0310	0.000	1	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]C)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	110.1130	0.000	1	110.1130	0.000	1	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]H)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]H)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	112.7433	0.358	3	112.7433	0.128	3	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]N)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]N)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>}	111.1320	0.000	1	111.2155	0.014	2	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]N)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NC[6a]N)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	111.2990	0.000	1	111.2155	0.014	2	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NFeC)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NFeC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	114.9565	1.832	2	114.9565	3.357	2	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	111.5810	0.276	2	111.7123	0.090	3	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	111.9750	0.000	1	111.7123	0.090	3	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.7670	0.000	1	112.7670	0.000	1	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	113.2570	0.000	1	113.2570	0.000	1	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NMnC)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NMnC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	114.0070	3.004	3	114.0070	9.022	3	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NNiC)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NNiC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.0410	0.314	4	112.0410	0.099	4	112.5189	2.074	36	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHP)(H)2	C(CN[6]HH)(PC[6a]2)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHP)(H)2	C(CN[6]HH)(PC[6a]2)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	112.5272	1.815	46	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:3:2:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	111.0850	0.000	1	111.0850	0.000	1	111.0850	0.000	1	111.0850	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH){3|H<1>,4|C<4>}	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	113.4471	3.474	11	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	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>}	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	113.4471	3.474	11	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	113.5575	0.302	2	113.5575	0.091	2	113.6100	0.054	3	113.4471	3.474	11	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	113.7150	0.000	1	113.7150	0.000	1	113.6100	0.054	3	113.4471	3.474	11	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	111.7310	0.000	1	111.7310	0.000	1	111.7310	0.000	1	113.4471	3.474	11	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	113.3715	0.575	4	113.3715	0.331	4	112.8070	1.841	5	113.4471	3.474	11	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrCH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBrCH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	110.5490	0.000	1	110.5490	0.000	1	112.8070	1.841	5	113.4471	3.474	11	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCCH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	110.3020	0.000	1	110.3020	0.000	1	110.3200	4.174	3	112.3201	7.127	8	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	108.2860	0.000	1	108.2860	0.000	1	110.3200	4.174	3	112.3201	7.127	8	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	112.3720	0.000	1	112.3720	0.000	1	110.3200	4.174	3	112.3201	7.127	8	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	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>}	111.7650	0.776	2	113.3480	7.249	4	113.3480	7.249	4	112.3201	7.127	8	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	C(N[6]C[6]N[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	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>}	114.9310	3.335	2	113.3480	7.249	4	113.3480	7.249	4	112.3201	7.127	8	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	114.2090	0.000	1	114.2090	0.000	1	114.2090	0.000	1	112.3201	7.127	8	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CC[5,6,6]HO)(CN[6]HH)(H)2	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CC[5,6,6]HO)(CN[6]HH)(H)2	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	121.2000	0.000	1	121.2000	0.000	1	117.4297	23.077	3	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH)	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH){2|C<3>,3|C<4>,4|H<1>}	119.0680	0.000	1	119.0680	0.000	1	117.4297	23.077	3	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH)	C(N[6]C[3x6]C[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	112.0210	0.000	1	112.0210	0.000	1	117.4297	23.077	3	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH){1|C<3>,4|C<4>,4|H<1>}	121.5495	0.110	2	121.5495	0.012	2	121.5495	0.012	2	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[6]HH)(H)2	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CC[5,3x6]HH)(CN[6]HH)(H)2	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH){1|O<1>,2|H<1>,4|C<4>}	119.1780	0.124	2	119.1780	0.015	2	117.6418	8.504	4	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH){1|S<2>,2|H<1>,4|C<4>}	118.9390	0.000	1	118.9390	0.000	1	117.6418	8.504	4	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH)	C(N[6]C[5,6]C[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	113.2720	0.000	1	113.2720	0.000	1	117.6418	8.504	4	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CC[5]HH)(CN[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	119.2580	0.000	1	119.2580	0.000	1	116.6980	12.958	3	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,3|C<4>,4|H<1>}	118.2540	0.000	1	118.2540	0.000	1	116.6980	12.958	3	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,2|O<2>,5|H<1>}	112.5820	0.000	1	112.5820	0.000	1	116.6980	12.958	3	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[5,6]HH)(CN[6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[5,6]HH)(CN[6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,2|H<1>}	118.3080	0.000	1	118.3080	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	114.5670	0.000	1	114.5670	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2C)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	110.8630	0.450	2	110.8630	0.202	2	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CC[6a]2O)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	113.5910	0.000	2	113.5910	0.000	2	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[4]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[4]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	113.6245	0.104	2	113.6245	0.011	2	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	111.6555	0.238	2	111.6555	0.057	2	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	111.6380	0.000	1	112.2275	0.695	2	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[5a]HH)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	112.8170	0.000	1	112.2275	0.695	2	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	N[6](C[6]C[6]CC)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CBHH)(H)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	112.0350	0.000	1	112.0350	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	113.3620	0.000	1	113.3620	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(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>}	117.5350	0.000	1	117.5350	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	112.2090	0.000	1	112.2090	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	113.8090	0.000	1	113.8090	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	112.8800	0.000	1	112.8800	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|O<2>}	116.4190	0.000	1	116.4190	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,3|H<1>}	113.2378	0.514	6	113.7180	0.613	25	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	113.3440	0.320	6	113.7180	0.613	25	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	114.0850	0.000	1	113.7180	0.613	25	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	114.1146	0.886	12	113.7180	0.613	25	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){1|C<3>,1|C<4>}	114.6300	0.000	1	114.6300	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|C<3>,2|C<4>,2|H<1>}	113.9930	0.000	1	113.9930	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	110.5785	3.232	2	112.5670	8.818	4	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	114.5555	0.438	2	112.5670	8.818	4	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,1|N<3>}	112.7420	0.000	1	112.7420	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]N[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](C[6]N[6]HH)2(CCHH){1|C<4>,2|C<3>}	113.2227	0.540	3	113.2227	0.292	3	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	110.7580	0.000	1	110.7580	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	113.9013	0.997	19	113.6706	1.065	25	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	112.4970	0.375	2	113.6706	1.065	25	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	113.1615	0.956	4	113.6706	1.065	25	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHN)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	115.7720	0.000	1	115.7720	0.000	1	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	113.1330	1.919	3	113.1026	4.612	19	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	112.8195	1.127	11	113.1026	4.612	19	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	113.7074	3.880	5	113.1026	4.612	19	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	113.2060	0.444	2	113.2060	0.197	2	113.4603	2.498	102	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C(N[6]C[6]P[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH)	C(N[6]C[6]P[6])(CCHH)(H)2	C(CN[6]HH)2(H)2	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH){2|C<3>}	114.8610	0.000	1	114.8610	0.000	1	114.8610	0.000	1	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CClHH)(H)2	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CClHH)(H)2	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH){1|C<4>,1|S<4>,3|H<1>}	110.4280	0.000	1	110.4280	0.000	1	110.4280	0.000	1	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	113.0550	0.000	1	113.0550	0.000	1	113.9297	2.340	16	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	116.2960	1.476	2	114.2165	2.426	13	113.9297	2.340	16	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	113.8384	1.293	11	114.2165	2.426	13	113.9297	2.340	16	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	C(N[6]P[6,6]C[6])(CCHH)(H)2	C(CN[6]HH)(CH3)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	112.5030	0.280	2	112.5030	0.078	2	113.9297	2.340	16	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]S[6])(CCHH)(H)2	C(CN[6]HH)(CHHO)(H)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	109.2390	0.000	1	109.2390	0.000	1	111.5925	4.604	18	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	110.1810	0.000	1	110.1810	0.000	1	111.5925	4.604	18	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	111.3520	3.072	2	111.9144	5.203	14	111.5925	4.604	18	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	112.2147	0.976	3	111.9144	5.203	14	111.5925	4.604	18	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	111.7490	2.145	4	111.9144	5.203	14	111.5925	4.604	18	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	112.0916	3.214	5	111.9144	5.203	14	111.5925	4.604	18	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,3|C<3>,3|H<1>}	112.0490	0.000	1	112.0490	0.000	1	111.5925	4.604	18	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NIrCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHN)(H)2	C(CN[6]HH)(NIrCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	110.3940	0.000	1	110.3940	0.000	1	111.5925	4.604	18	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SN[6]OO)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SN[6]OO)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	113.6230	0.000	1	113.6230	0.000	1	112.5595	2.262	2	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:S-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CHHS)(H)2	C(CN[6]HH)(SO3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	111.4960	0.000	1	111.4960	0.000	1	112.5595	2.262	2	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[4]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[4]HH)(H)2	C(C[4]C[4,5]B[4]H)(CN[6]HH)(H)2	N[6](C[6]C[6]CC)2(CCHH)	C(N[6]C[6]2)(CC[4]HH)(H)2	C(C[4]C[4,5]B[4]H)(CN[6]HH)(H)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	113.9020	0.000	1	113.9020	0.000	1	113.9020	0.000	1	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	112.7600	0.000	1	113.6000	1.411	2	112.9342	2.552	5	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2Fe)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	114.4400	0.000	1	113.6000	1.411	2	112.9342	2.552	5	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2V)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[5]HH)(H)2	C(C[5]C[5]2V)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	112.4903	1.913	3	112.4903	3.659	3	112.9342	2.552	5	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	C(C[6]C[6]2H)(CN[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	114.3200	0.158	2	114.3200	0.025	2	114.3200	0.025	2	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[6]HH)(H)2	C(C[6]C[6]2C)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	113.5380	0.000	1	113.5380	0.000	1	113.5380	0.000	1	113.6034	5.193	162	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:2:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CC[6a]HH)(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHO)(H)2	C(CC[6a]HH)(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	114.3480	0.000	1	114.3480	0.000	1	113.6788	2.237	6	113.6788	2.237	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:2:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5]HH)(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	114.7530	0.000	1	114.7530	0.000	1	113.6788	2.237	6	113.6788	2.237	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:2:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5a]HH)(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[5a]HH)(CN[6]HH)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	114.6000	0.000	1	114.6000	0.000	1	113.6788	2.237	6	113.6788	2.237	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:2:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OC)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CCHN)(OC)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH){2|C<4>,3|H<1>}	111.8475	1.016	2	111.8475	1.032	2	113.6788	2.237	6	113.6788	2.237	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:2:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CCHO)(H)2	C(CN[6]HH)(CHHO)(OH)(H)	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	114.6770	0.000	1	114.6770	0.000	1	113.6788	2.237	6	113.6788	2.237	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:3:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHN)(H)2	C(CN[6]HH)(CCCH)(NHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	C(N[6]C[6]2)(CCHN)(H)2	C(CN[6]HH)(CCCH)(NHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCCH)(H)2	C(CN[6]HH)(CHHN)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	110.7320	2.531	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	3:3:4:	N[6]-3:C-4:H-1:H-1:	C-4:N-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(N[6]C[6,6a]2)(CCHN)(H)2	C(CN[6]HH)(NCCH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	110.7320	2.531	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:4:1:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:S-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6]HS)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC[6]HS)(H)2	C(C[6]C[6]O[6]H)(SC[6a]OO)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:4:3:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)2(COO)	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)(CH3)2(COO)	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	3:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C(N[6]C[6,6a]C[6])(CC3)(H)2	C(CN[6]HH)(CH3)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	C(N[6]C[6,6a]C[6])(CC3)(H)2	C(CN[6]HH)(CH3)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>}	114.6590	0.000	1	114.6590	0.000	1	114.6590	0.000	1	114.6590	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:1:1:	4:4:4:4:	4:4:4:	N[6]-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)4	N[6](C[6]C[6]HH)2(CCHH)	C(N[6]C[6]2)(CC3)(H)2	C(CN[6]HH)4	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	115.2193	0.948	4	115.2193	0.899	4	115.2193	0.899	4	115.2193	0.899	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:2:1:	4:4:4:1:	4:4:4:	N[6]-3:C-4:C-2:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCCH)(CN)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	C(N[6]C[6]2)(CCCH)(CN)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:C-3:H-1:	C[5a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CN[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCCH){2|H<1>,3|C<3>}	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	111.7915	5.635	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:3:1:	3:4:1:1:	4:4:4:	N[6]-3:C-4:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH)	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	C(C[6a]C[6a]2)(CN[6]CH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH){1|C<3>,1|C<4>,1|N<3>}	110.1130	0.000	1	110.1130	0.000	1	110.1130	0.000	1	111.7915	5.635	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:3:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|C<3>,2|H<1>}	111.2830	0.000	1	111.2830	0.000	1	110.9655	0.202	2	110.9655	0.202	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:3:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CCHH)(COO)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	110.6480	0.000	1	110.6480	0.000	1	110.9655	0.202	2	110.9655	0.202	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:3:1:	4:4:4:1:	4:4:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	112.1170	0.727	2	112.1170	0.528	2	112.7172	0.475	5	112.7172	0.475	5	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:3:1:	4:4:4:1:	4:4:4:	N[6]-3:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	C(N[6]C[6]2)(CCCH)(COO)(H)	C(CN[6]CH)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.1173	0.292	3	113.1173	0.085	3	112.7172	0.475	5	112.7172	0.475	5	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:3:4:	3:4:3:1:	4:4:4:	N[6]-3:C-4:C-3:C-4:	C[6a]-3:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	C(C[6a]C[6a]2)(CN[6]CC)(CCH)(H)	N[6](C[6]C[6]HH)2(CC3)	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	C(C[6a]C[6a]2)(CN[6]CC)(CCH)(H)	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:3:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-3:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3)	C(N[6]C[6]2)(CC[6a]CH)(CN[6]O)(CH3)	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	112.6640	0.000	1	112.6640	0.000	1	112.6640	0.000	1	112.6640	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:2:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	109.5355	1.529	2	109.5355	2.339	2	109.5355	2.339	2	109.5355	2.339	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C(N[6]C[6,6a]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	111.3760	0.106	2	111.3760	0.011	2	111.3760	0.011	2	111.1035	0.263	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|N<2>}	110.8310	0.694	2	110.8310	0.482	2	110.8310	0.482	2	111.1035	0.263	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	3:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(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>}	114.4400	2.885	2	114.4400	8.323	2	114.4400	8.323	2	114.4400	8.323	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(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>}	109.6965	1.018	2	109.6965	1.035	2	109.3905	0.919	6	109.3905	0.919	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:3:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)	C(N[6]C[6]N[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|H<1>}	109.2375	1.046	4	109.2375	1.094	4	109.3905	0.919	6	109.3905	0.919	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH){1|C<4>,4|H<1>}	115.2667	0.725	3	115.2667	0.526	3	112.9667	8.260	18	112.7919	7.774	20	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6]HH)2(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6,6]HH)2(CCCH){2|C<4>,3|C<3>}	111.5065	0.770	2	111.5065	0.593	2	112.9667	8.260	18	112.7919	7.774	20	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.1675	3.935	2	113.1675	15.485	2	112.9667	8.260	18	112.7919	7.774	20	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[5,6]HH)2(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	110.2458	0.794	6	110.2458	0.631	6	112.9667	8.260	18	112.7919	7.774	20	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]HH)2(CCCH)	C(N[6]C[6]2)(CH3)2(H)	C(CN[6]CH)(H)3	N[6](C[6]N[6]HH)2(CCCH){1|C<4>,2|C<3>}	112.9935	2.703	2	112.9935	7.308	2	112.9667	8.260	18	112.7919	7.774	20	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]N[5,6]HH)2(CCCH)	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	117.3360	0.298	2	117.3360	0.089	2	112.9667	8.260	18	112.7919	7.774	20	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(H)3	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	116.1180	0.000	1	116.1180	0.000	1	112.9667	8.260	18	112.7919	7.774	20	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C(N[6]P[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	C(N[6]P[6,6]C[6])(CH3)2(H)	C(CN[6]CH)(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	111.2190	1.334	2	111.2190	1.778	2	111.2190	1.778	2	112.7919	7.774	20	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(OH)(H)2	N[6](C[6]N[5,6]HH)2(CCCH)	C(N[6]C[6]2)(CHHO)(CH3)(H)	C(CN[6]CH)(OH)(H)2	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	107.2065	0.390	2	107.2065	0.152	2	112.8060	36.192	6	112.8060	36.192	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:2:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHO)2(H)	C(CN[6]CH)(OH)(H)2	N[6](C[6]C[6]CC)2(CCCH)	C(N[6]C[6]2)(CHHO)2(H)	C(CN[6]CH)(OH)(H)2	N[6](C[6]C[6]CC)2(CCCH){1|C<4>,4|H<1>}	115.6058	5.377	4	115.6058	28.915	4	112.8060	36.192	6	112.8060	36.192	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:2:4:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:S-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(SC[6a])(CCHH)(H)	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(SC[6a])(CCHH)(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	110.0620	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CCHH)(CH3)(H)	C(CN[6]CH)(COO)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|C<4>,4|H<1>}	109.7643	1.411	3	109.7643	1.992	3	109.9540	1.472	4	109.7950	1.230	5	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	110.5230	0.000	1	110.5230	0.000	1	109.9540	1.472	4	109.7950	1.230	5	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:3:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(PC[6a]2)(H)2	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CHHP)(CH3)(H)	C(CN[6]CH)(PC[6a]2)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.7950	1.230	5	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	C(CN[6]CH)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	113.3880	0.000	1	113.3880	0.000	1	113.8880	0.500	2	113.8880	0.500	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:1:	4:4:1:1:	4:4:4:	N[6]-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCCH)	C(N[6]C[6]2)(CCHH)2(H)	C(CN[6]CH)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	114.3880	0.000	1	114.3880	0.000	1	113.8880	0.500	2	113.8880	0.500	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:2:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CH3)2(CN)	C(CN[6]CC)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C(N[6]C[6,6a]2)(CH3)2(CN)	C(CN[6]CC)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|O<2>,2|H<1>,4|C<3>}	110.4225	1.087	2	110.4225	1.181	2	110.4225	1.181	2	110.4225	1.181	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:2:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3){1|O<2>,4|H<1>}	110.5330	0.007	2	110.5330	0.000	2	110.1063	0.250	4	110.1063	0.250	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:2:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)2(CC)	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3)	C(N[6]C[6]2)(CH3)2(CC)	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3){1|N<3>,4|H<1>}	109.6795	0.145	2	109.6795	0.021	2	110.1063	0.250	4	110.1063	0.250	4	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:2:	4:4:3:1:	4:4:4:	N[6]-3:C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(CHHO)(NHS)(H)	N[6](C[6]C[6]HH)2(CC3)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(CHHO)(NHS)(H)	N[6](C[6]C[6]HH)2(CC3){1|O<2>,4|H<1>}	109.2640	0.249	2	109.2640	0.062	2	109.2640	0.062	2	109.2640	0.062	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	2:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[6]-2:C[6]-4:C-4:	C(N[6]Ge[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3)	C(N[6]Ge[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3){2|H<1>,2|N<3>}	109.9922	1.385	6	109.9922	1.919	6	109.9922	1.919	6	109.9922	1.919	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	3:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C(CN[6]CC)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C(CN[6]CC)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|C<4>,2|H<1>,4|C<3>}	108.8770	1.264	2	108.8770	1.598	2	108.8770	1.598	2	108.8770	1.598	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:2:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:P[6]-2:C-4:	C(N[6]C[6]P[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)(P[6]N[6])(CC3)	C(N[6]C[6]P[6])(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)(P[6]N[6])(CC3){2|C<4>,2|H<1>}	109.8800	1.644	3	109.8800	2.702	3	109.8800	2.702	3	109.5328	4.892	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:2:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:S[6]-2:C-4:	C(N[6]P[6]S[6])(CH3)3	C(CN[6]CC)(H)3	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3)	C(N[6]P[6]S[6])(CH3)3	C(CN[6]CC)(H)3	N[6](P[6]C[6a]N[6]O)(S[6]S[6])(CC3){1|C<4>,1|S<2>,2|C<3>}	109.1857	3.028	3	109.1857	9.168	3	109.1857	9.168	3	109.5328	4.892	6	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[6]-4:C[6]-4:C-4:	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)	C(N[6]B[6]C[6])(CH3)3	C(CN[6]CC)(H)3	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3){1|C<4>,4|H<1>}	110.4027	1.264	3	110.4027	1.597	3	110.4027	1.597	3	110.1569	7.117	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]CH)2(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]CH)2(CC3){1|O<2>,4|H<1>}	110.1485	0.790	6	110.1485	0.623	6	110.1448	7.416	61	110.1569	7.117	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	110.1349	2.252	9	110.3799	4.950	18	110.1448	7.416	61	110.1569	7.117	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]C[6]HH)2(CC3){2|H<1>,3|C<4>}	110.6249	2.305	9	110.3799	4.950	18	110.1448	7.416	61	110.1569	7.117	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]N[5,6]HH)2(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]N[5,6]HH)2(CC3){1|C<4>,2|C<3>}	109.7088	2.964	6	109.7088	8.784	6	110.1448	7.416	61	110.1569	7.117	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]N[6]HH)2(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]N[6]HH)2(CC3){1|C<3>,2|C<4>}	110.1416	3.325	21	110.0633	10.717	30	110.1448	7.416	61	110.1569	7.117	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]N[6]HH)2(CC3)	C(N[6]C[6]2)(CH3)3	C(CN[6]CC)(H)3	N[6](C[6]N[6]HH)2(CC3){1|C<4>,2|S<4>}	109.8806	3.341	9	110.0633	10.717	30	110.1448	7.416	61	110.1569	7.117	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:1:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)2(CH3)	C(CN[6]CC)(H)3	N[6](C[6]C[6,6]HH)2(CC3)	C(N[6]C[6]2)(CHHN)2(CH3)	C(CN[6]CC)(H)3	N[6](C[6]C[6,6]HH)2(CC3){2|C<4>,3|C<3>}	110.9520	0.000	1	110.9520	0.000	1	110.1448	7.416	61	110.1569	7.117	64	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:2:1:1:	3:3:4:	N[6]-3:C-4:C-4:C-4:	C-4:O-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C(CN[6]CC)(OC[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC3)	C(N[6]C[6,6a]2)(CHHO)(CH3)2	C(CN[6]CC)(OC[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC3){1|C<4>,2|H<1>,4|C<3>}	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	3:4:4:4:	4:3:1:1:	4:4:4:	N[6]-3:C-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(N[6]C[6]2)(CHHN)2(CH3)	C(CN[6]CC)(NCC)(H)2	N[6](C[6]C[6,6]HH)2(CC3)	C(N[6]C[6]2)(CHHN)2(CH3)	C(CN[6]CC)(NCC)(H)2	N[6](C[6]C[6,6]HH)2(CC3){2|C<4>,3|C<3>}	109.8350	4.740	2	109.8350	22.472	2	109.8350	22.472	2	109.8350	22.472	2	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N[6]-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(CC[5,6]HH)(N[6]C[6]2)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	C(CC[5,6]HH)(N[6]C[6]2)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|Cl<1>,2|C<3>,2|C<4>}	117.3150	0.000	1	118.6940	0.528	6	118.6940	0.528	6	117.7596	3.403	8	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N[6]-3:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(CC[5,6]HH)(N[6]C[6]2)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	C(CC[5,6]HH)(N[6]C[6]2)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|O<2>,2|C<3>,2|C<4>}	118.9698	0.298	5	118.6940	0.528	6	118.6940	0.528	6	117.7596	3.403	8	112.7274	6.838	674	112.7595	7.449	712
490	490	856	0:SP3_SP3_SP3	C	C	N[6]	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:N[6]-3:H-1:H-1:	N[3x6]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(CN[3x6]HH)(N[6]C[6]2)(H)2	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	C(CN[3x6]HH)(N[6]C[6]2)(H)2	C(N[3x6]C[6,6]3)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	114.9565	0.477	2	114.9565	0.228	2	114.9565	0.228	2	117.7596	3.403	8	112.7274	6.838	674	112.7595	7.449	712