490	856	945	0:SP3_SP2_SP3	C	N[6]	P	3:3:1:1:	3:4:4:	3:3:4:	N[6]-3:P-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	P(C[6a]C[6a]2)2(CN[6]HH)	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	P(C[6a]C[6a]2)2(CN[6]HH)	110.6375	0.329	2	110.6375	0.108	2	110.6375	0.108	2	110.6375	0.108	2	110.6375	0.108	2	110.6375	0.108	2
490	856	945	0:SP3_SP3_SP3	C	N[6]	P	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:C-4:C-4:	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP)	P(CN[6]HH)3	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	P(CN[6]HH)3	113.5582	1.522	6	113.3286	1.770	9	113.3286	1.770	9	113.3286	1.770	9	113.3286	1.770	9	113.3286	1.770	9
490	856	945	0:SP3_SP3_SP3	C	N[6]	P	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:C-4:C-4:	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP)	P(CN[6]HH)3	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	P(CN[6]HH)3	112.8693	0.904	3	113.3286	1.770	9	113.3286	1.770	9	113.3286	1.770	9	113.3286	1.770	9	113.3286	1.770	9
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:1:1:1:	4:3:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	H(CN[6,6]HH)	109.0948	2.075	4	109.0948	4.305	4	109.4400	0.484	29	109.4464	0.377	37	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:1:1:1:	4:3:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6,6]HH)	109.4623	0.048	3	109.4605	0.002	6	109.4400	0.484	29	109.4464	0.377	37	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:1:1:1:	4:3:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6,6]HH)	109.4587	0.055	3	109.4605	0.002	6	109.4400	0.484	29	109.4464	0.377	37	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:1:1:1:	4:3:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6,6]HH)	109.5063	0.066	19	109.5063	0.004	19	109.4400	0.484	29	109.4464	0.377	37	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:1:1:1:	4:3:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[5,3x6]C[6,6])(H)3	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[5,3x6]C[6,6])(H)3	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(CN[6,6]HH)	109.4682	0.013	6	109.4696	0.000	8	109.4696	0.000	8	109.4464	0.377	37	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:1:1:1:	4:3:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[5,3x6]C[6,6])(H)3	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[5,3x6]C[6,6])(H)3	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,4|C<4>,5|H<1>}	H(CN[6,6]HH)	109.4740	0.041	2	109.4696	0.000	8	109.4696	0.000	8	109.4464	0.377	37	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:P[3x6]-4:C-4:	C-4:	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	H(CN[6,6]HH)	109.5055	0.030	4	109.5055	0.001	4	109.5055	0.001	4	109.5055	0.001	4	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:2:1:1:	3:4:4:	4:	N[6,6]-3:O-2:H-1:H-1:	C[6,6]-3:C[3x6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(OC)(H)2	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO)	H(CN[6,6]HO)	C(N[6,6]C[3x6]C[6,6])(OC)(H)2	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CN[6,6]HO)	108.8130	3.138	2	108.8130	9.848	2	108.8130	9.848	2	108.8130	9.848	2	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(CN[6,6]C[6a]H)	109.1785	0.029	2	108.9957	0.021	7	108.9866	0.016	9	108.9866	0.016	9	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(CN[6,6]C[6a]H)	108.9300	0.024	2	108.9957	0.021	7	108.9866	0.016	9	108.9866	0.016	9	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(CN[6,6]C[6a]H)	108.7750	0.000	1	108.9957	0.021	7	108.9866	0.016	9	108.9866	0.016	9	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(CN[6,6]C[6a]H)	108.9890	0.013	2	108.9957	0.021	7	108.9866	0.016	9	108.9866	0.016	9	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(CN[6,6]C[6a]H)	108.9545	0.009	2	108.9545	0.000	2	108.9866	0.016	9	108.9866	0.016	9	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[6,6]2)(CCHH)(H)2	N[6,6](C[6,6]C[4,3x6]O)2(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[6,6]2)(CCHH)(H)2	N[6,6](C[6,6]C[4,3x6]O)2(CCHH){2|C<3>,2|C<4>}	H(CN[6,6]CH)	108.6970	0.044	2	108.6970	0.002	2	108.6970	0.002	2	108.6970	0.002	2	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	109.4695	0.033	2	109.4695	0.001	2	109.4695	0.001	2	109.4695	0.001	2	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6,6]	H	3:4:1:1:	5:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	P[5,6,6]-5:P[6,6]-4:C-4:	C-4:	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	N[6,6](P[5,6,6]N[6]2O[5]2)(P[6,6]N[6]2O)(CCHH)	H(CN[6,6]CH)	C(N[6,6]P[5,6,6]P[6,6])(CH3)(H)2	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>}	H(CN[6,6]CH)	108.9005	0.011	2	108.9005	0.000	2	108.9005	0.000	2	108.9005	0.000	2	109.3134	0.473	58	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	2:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>}	H(CN[6]HH)	109.5037	0.030	3	109.5037	0.001	3	109.5037	0.001	3	109.5037	0.001	3	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	106.0357	3.038	3	106.0357	9.231	3	108.8267	15.436	6	109.0942	2.981	60	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]C)(C[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]C)(C[6]C[6])(CH3){1|C<3>,1|O<2>}	H(CN[6]HH)	111.6177	2.448	3	111.6177	5.990	3	108.8267	15.436	6	109.0942	2.981	60	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3){1|N<2>,2|C<3>}	H(CN[6]HH)	109.4737	0.023	3	109.4737	0.001	3	109.1106	1.921	52	109.0942	2.981	60	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	108.3014	2.350	16	109.0883	2.032	49	109.1106	1.921	52	109.0942	2.981	60	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4698	0.036	33	109.0883	2.032	49	109.1106	1.921	52	109.0942	2.981	60	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3){1|F<1>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4715	0.009	2	109.4715	0.000	2	109.4715	0.000	2	109.0942	2.981	60	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	B[5a,6]-3:N[5a,6]-3:C-4:	C-4:	C(N[6]B[5a,6]N[5a,6])(H)3	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	H(CN[6]HH)	C(N[6]B[5a,6]N[5a,6])(H)3	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	H(CN[6]HH)	109.4610	0.007	2	109.4610	0.000	2	109.4610	0.000	2	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[5,6]2)(H)3	N[6](C[5,6]C[5,6]N[5])2(CH3)	H(CN[6]HH)	C(N[6]C[5,6]2)(H)3	N[6](C[5,6]C[5,6]N[5])2(CH3){2|Se<2>,1|C<3>,2|S<2>}	H(CN[6]HH)	109.4667	0.048	6	109.4679	0.002	9	109.4679	0.002	9	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[5,6]2)(H)3	N[6](C[5,6]C[5,6]N[5])2(CH3)	H(CN[6]HH)	C(N[6]C[5,6]2)(H)3	N[6](C[5,6]C[5,6]N[5])2(CH3){4|Se<2>,1|C<3>}	H(CN[6]HH)	109.4703	0.037	3	109.4679	0.002	9	109.4679	0.002	9	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6,6])(H)3	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6,6])(H)3	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.5387	0.063	3	109.5387	0.004	3	109.5387	0.004	3	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[5,6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[5,6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CH3){1|C<3>,4|S<2>}	H(CN[6]HH)	109.5310	0.008	2	109.5310	0.000	2	109.5310	0.000	2	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6,6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6,6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	H(CN[6]HH)	109.4867	0.040	12	109.4867	0.002	12	109.4867	0.002	12	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6,6a])(H)3	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6,6a])(H)3	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	H(CN[6]HH)	109.4607	0.070	3	109.4607	0.005	3	109.4650	0.003	6	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6,6a])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6,6a])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CN[6]HH)	109.4693	0.044	3	109.4693	0.002	3	109.4650	0.003	6	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(CN[6]HH)	109.4875	0.008	2	109.4875	0.000	2	109.4879	2.804	23	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4783	0.071	3	109.4783	0.005	3	109.4879	2.804	23	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(CH3){1|N<3>,2|C<3>}	H(CN[6]HH)	109.5963	5.550	3	109.5963	30.807	3	109.4879	2.804	23	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4743	0.049	9	109.4743	0.002	9	109.4879	2.804	23	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]Rh)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]Rh)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4403	0.051	3	109.4403	0.003	3	109.4879	2.804	23	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]O)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4773	0.043	3	109.4773	0.002	3	109.4879	2.804	23	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[6,6]2)(H)3	N[6](C[6,6]C[6,6]C[6])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6]2)(H)3	N[6](C[6,6]C[6,6]C[6])2(CH3){2|C<3>,3|C<4>,4|H<1>}	H(CN[6]HH)	109.4690	0.024	3	109.4690	0.001	3	109.4690	0.001	3	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(CN[6]HH)	109.4660	0.028	7	109.4660	0.001	7	109.4660	0.001	7	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4536	0.058	9	109.4536	0.003	9	109.5256	0.399	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4672	0.028	12	109.4672	0.001	12	109.5256	0.399	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3){1|H<1>,5|C<3>}	H(CN[6]HH)	110.1157	2.172	3	110.1157	4.715	3	109.5256	0.399	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(CN[6]HH)	109.6650	1.491	3	109.4975	0.326	15	109.5256	0.399	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4493	0.035	6	109.4975	0.326	15	109.5256	0.399	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4500	0.049	3	109.4975	0.326	15	109.5256	0.399	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){2|C<3>,3|C<4>}	H(CN[6]HH)	109.4740	0.012	3	109.4975	0.326	15	109.5256	0.399	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3){1|C<4>,1|H<1>,5|C<3>}	H(CN[6]HH)	109.4500	0.047	5	109.4500	0.002	5	109.4500	0.002	5	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.4783	0.049	3	109.4783	0.002	3	109.4832	0.002	6	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4880	0.038	3	109.4880	0.001	3	109.4832	0.002	6	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3){2|H<1>,5|C<3>}	H(CN[6]HH)	110.1807	2.806	3	110.1807	7.876	3	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	H(CN[6]HH)	109.4720	0.023	3	109.4720	0.001	3	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CH3){1|N<2>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.8727	0.681	12	109.8727	0.464	12	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.2920	1.038	26	109.4733	0.709	265	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|H<1>,1|S<2>,5|C<3>}	H(CN[6]HH)	110.2117	3.555	3	109.4733	0.709	265	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<2>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.7030	2.343	6	109.4733	0.709	265	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|N<3>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.4647	0.038	6	109.4733	0.709	265	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.4954	0.226	16	109.4733	0.709	265	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<4>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.5013	0.024	3	109.4733	0.709	265	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.5000	0.000	1	109.4733	0.709	265	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	H(CN[6]HH)	109.4768	0.716	204	109.4733	0.709	265	109.4977	0.750	283	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4943	0.041	3	109.4943	0.002	3	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[6]HH)	109.4623	0.017	3	109.4646	0.001	9	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[6]HH)	109.4657	0.040	6	109.4646	0.001	9	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(CN[6]HH)	109.4872	0.020	5	109.4872	0.000	5	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4475	0.039	2	109.4621	0.004	55	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4626	0.062	53	109.4621	0.004	55	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4640	0.016	2	109.4640	0.000	2	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CN[6]HH)	109.4696	0.033	12	109.4696	0.001	12	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[6]HH)	109.4790	0.023	2	109.3568	0.405	33	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	H(CN[6]HH)	109.4614	0.038	5	109.3568	0.405	33	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CN[6]HH)	109.5093	0.018	3	109.3568	0.405	33	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CN[6]HH)	108.9791	1.277	8	109.3568	0.405	33	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[6]HH)	109.4737	0.034	6	109.3568	0.405	33	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,5|C<3>}	H(CN[6]HH)	109.4913	0.027	6	109.3568	0.405	33	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4527	0.043	3	109.3568	0.405	33	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[6]HH)	109.4567	0.022	3	109.4734	0.001	23	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(CN[6]HH)	109.4743	0.021	3	109.4734	0.001	23	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[6]HH)	109.4762	0.037	17	109.4734	0.001	23	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4700	0.064	3	109.4700	0.004	3	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4380	2.041	5	109.4380	4.166	5	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.5290	0.025	3	109.5069	0.440	84	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	H(CN[6]HH)	109.5060	0.676	81	109.5069	0.440	84	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4725	0.013	6	109.4633	1.697	115	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4756	0.020	7	109.4633	1.697	115	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[6]HH)	108.3073	1.607	6	109.4633	1.697	115	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CN[6]HH)	109.3516	1.330	15	109.4633	1.697	115	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(CN[6]HH)	108.7746	1.091	9	109.4633	1.697	115	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	H(CN[6]HH)	109.4633	0.011	3	109.4633	1.697	115	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4627	0.031	3	109.4633	1.697	115	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	H(CN[6]HH)	109.6856	1.417	66	109.4633	1.697	115	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|C<3>}	H(CN[6]HH)	109.4790	0.028	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CN[6]HH)	109.4687	0.045	6	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CN[6]HH)	109.4780	0.046	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(CN[6]HH)	109.4690	0.000	1	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4537	0.042	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4653	0.030	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4520	0.049	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CN[6]HH)	109.4443	0.026	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(CN[6]HH)	109.4700	0.031	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	H(CN[6]HH)	109.4493	0.032	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(CN[6]HH)	109.4693	0.035	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[6]HH)	109.4877	0.068	3	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|S<2>,2|C<3>,3|H<1>}	H(CN[6]HH)	109.1299	0.941	7	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4742	0.018	5	109.4185	0.126	49	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,4|C<3>}	H(CN[6]HH)	109.4673	0.037	3	109.4673	0.001	3	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4970	0.030	2	109.4970	0.001	2	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4737	0.025	7	109.4737	0.001	7	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4687	0.025	3	109.4687	0.001	3	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3){5|C<3>}	H(CN[6]HH)	109.4760	0.036	12	109.4760	0.001	12	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[6]HH)	109.5180	0.044	3	109.5180	0.002	3	109.4605	0.624	428	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4677	0.031	10	109.4677	0.001	10	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	H(CN[6]HH)	109.4597	0.038	3	109.4597	0.001	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	H(CN[6]HH)	109.4730	0.033	12	109.4730	0.001	12	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	H(CN[6]HH)	109.4681	0.025	28	109.4134	0.609	39	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	H(CN[6]HH)	108.7660	3.299	3	109.4134	0.609	39	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	H(CN[6]HH)	109.4646	0.036	8	109.4134	0.609	39	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(CN[6]HH)	109.1370	0.897	6	109.2260	0.602	8	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){3|C<3>,3|H<1>}	H(CN[6]HH)	109.4930	0.028	2	109.2260	0.602	8	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3){1|N<3>,1|O<2>,2|C<4>}	H(CN[6]HH)	110.9208	5.435	6	110.9208	29.541	6	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(CN[6]HH)	109.4652	0.021	4	109.4652	0.000	4	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4397	0.026	3	109.4500	0.000	8	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6]HH)	109.4562	0.018	5	109.4500	0.000	8	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	H(CN[6]HH)	109.4680	0.036	3	109.4745	0.001	52	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	H(CN[6]HH)	109.4670	0.016	4	109.4745	0.001	52	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CN[6]HH)	109.4870	0.016	3	109.4745	0.001	52	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4618	0.038	13	109.4745	0.001	52	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CN[6]HH)	109.4912	0.031	5	109.4745	0.001	52	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4784	0.041	24	109.4745	0.001	52	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	H(CN[6]HH)	109.4905	0.009	2	109.4576	0.003	21	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4573	0.039	7	109.4576	0.003	21	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4283	0.068	3	109.4576	0.003	21	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4677	0.060	6	109.4576	0.003	21	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	H(CN[6]HH)	109.4453	0.064	3	109.4576	0.003	21	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4560	0.020	2	109.4560	0.000	2	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4787	0.057	9	109.4787	0.003	9	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]N[6]Rh)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]N[6]Rh)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4757	0.031	3	109.4757	0.001	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(CN[6]HH)	109.4569	0.025	8	109.4569	0.001	8	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4603	0.036	3	109.4603	0.001	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(CN[6]HH)	109.0367	1.584	3	109.4433	0.102	56	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4836	0.029	5	109.4433	0.102	56	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4647	0.030	43	109.4433	0.102	56	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4620	0.046	5	109.4433	0.102	56	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	108.4720	2.495	3	108.4720	6.226	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4717	0.033	15	109.4717	0.001	15	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4553	0.016	3	109.4553	0.000	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CN[6]HH)	109.4784	0.028	14	109.4784	0.001	14	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CN[6]HH)	109.3829	0.957	17	109.3829	0.915	17	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(CN[6]HH)	109.4845	0.011	2	109.3793	0.283	29	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	H(CN[6]HH)	109.4487	0.068	3	109.3793	0.283	29	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CN[6]HH)	108.9008	1.276	5	109.3793	0.283	29	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4795	0.028	17	109.3793	0.283	29	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){3|C<3>}	H(CN[6]HH)	109.5145	0.009	2	109.3793	0.283	29	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]N)(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4707	0.020	3	109.4707	0.000	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CH3){1|C<4>,2|C<3>}	H(CN[6]HH)	109.4493	0.062	3	109.4493	0.004	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)2(CH3){3|C<3>}	H(CN[6]HH)	109.1366	1.329	8	109.1366	1.767	8	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4641	0.067	10	109.4727	0.003	19	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4823	0.038	9	109.4727	0.003	19	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,2|C<3>}	H(CN[6]HH)	109.4588	0.035	5	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4577	0.020	3	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]HH)	109.4643	0.047	25	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.4052	0.699	98	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>}	H(CN[6]HH)	109.4717	0.040	3	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4782	0.023	5	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4640	0.015	4	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4670	0.000	1	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){3|Ru<5>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.5113	0.037	3	109.4262	0.326	147	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4650	0.032	3	109.4650	0.001	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4592	0.015	6	109.4592	0.000	6	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]HH)	109.4673	0.025	7	109.4692	0.002	50	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.4679	0.043	37	109.4692	0.002	50	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3){1|N<2>,2|C<4>}	H(CN[6]HH)	109.4950	0.021	3	109.4692	0.002	50	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3){3|Ru<5>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4643	0.047	3	109.4692	0.002	50	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.4836	0.041	10	109.4836	0.002	10	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	108.3580	1.645	3	109.2914	0.577	37	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.3737	0.616	34	109.2914	0.577	37	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CN[6]HH)	109.4613	0.262	3	109.4613	0.069	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.4754	0.018	5	109.4754	0.000	5	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]HH)	109.4671	0.055	14	109.4570	0.003	21	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.4366	0.041	7	109.4570	0.003	21	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.7540	1.347	15	109.5170	2.302	49	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	H(CN[6]HH)	109.4982	0.062	4	109.5170	2.302	49	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4732	0.088	5	109.5170	2.302	49	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<5>,2|C<4>}	H(CN[6]HH)	109.4517	0.044	3	109.5170	2.302	49	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.3631	2.157	19	109.5170	2.302	49	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Re<6>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4700	0.028	3	109.5170	2.302	49	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3){2|C<3>}	H(CN[6]HH)	109.4773	0.011	3	109.4773	0.000	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|B<3>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4630	0.011	2	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4726	0.035	28	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<2>,1|C<3>,1|H<1>}	H(CN[6]HH)	108.8781	2.407	14	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4638	0.032	17	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	H(CN[6]HH)	109.4695	0.048	56	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	H(CN[6]HH)	109.4700	0.038	6	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(CN[6]HH)	109.4733	0.033	48	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]HH)	109.3264	0.371	19	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|S<4>}	H(CN[6]HH)	109.4817	0.056	3	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<2>}	H(CN[6]HH)	109.4479	0.035	12	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	109.4502	0.064	13	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.5142	0.587	1032	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|I<1>}	H(CN[6]HH)	109.8605	0.604	21	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	H(CN[6]HH)	109.4660	0.000	1	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	H(CN[6]HH)	109.4821	0.028	8	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4373	0.053	3	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	H(CN[6]HH)	109.4721	0.036	9	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4785	1.059	40	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4582	0.054	11	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|Ir<8>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.5047	0.079	3	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|N<2>,2|H<1>}	H(CN[6]HH)	109.5013	0.090	15	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<3>}	H(CN[6]HH)	109.4790	0.031	3	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	H(CN[6]HH)	109.4913	0.023	3	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4787	0.048	3	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4683	0.097	3	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){1|Rh<6>,1|C<3>,1|H<1>}	H(CN[6]HH)	109.4570	0.038	3	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){2|Br<1>,1|C<3>}	H(CN[6]HH)	109.4710	0.045	17	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]H)2(CH3){3|C<3>}	H(CN[6]HH)	109.6202	0.889	42	109.5045	0.367	1435	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4867	0.035	3	109.4867	0.001	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	H(CN[6]HH)	109.4670	0.037	3	109.4670	0.001	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.4855	0.018	2	109.4855	0.000	2	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4443	0.020	3	109.4443	0.000	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]N[6]S)(CH3){1|C<4>,2|C<3>}	H(CN[6]HH)	109.4850	0.049	3	109.4850	0.002	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.4818	0.037	12	109.4853	0.001	14	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)2(CH3){1|C<4>,2|C<2>}	H(CN[6]HH)	109.5060	0.037	2	109.4853	0.001	14	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4693	0.038	6	109.4693	0.001	6	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.3933	0.172	6	109.3933	0.029	6	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4694	0.016	5	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	109.4774	0.027	7	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4643	0.012	3	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4624	0.037	15	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CN[6]HH)	109.3562	2.176	34	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>}	H(CN[6]HH)	109.5007	0.038	3	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	H(CN[6]HH)	109.4808	0.040	11	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<4>,2|C<4>}	H(CN[6]HH)	109.4753	0.026	4	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|S<4>,2|C<4>}	H(CN[6]HH)	109.4493	0.040	4	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	109.4630	0.027	22	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4742	0.023	5	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4741	0.021	8	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4544	0.028	7	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CN[6]HH)	109.4855	0.016	4	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	H(CN[6]HH)	109.4644	0.036	167	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	H(CN[6]HH)	109.4784	0.032	10	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	H(CN[6]HH)	109.4583	0.045	15	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	H(CN[6]HH)	109.4770	0.016	8	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4750	0.026	5	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4715	0.036	4	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.4853	0.031	10	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){4|C<4>}	H(CN[6]HH)	109.4820	0.042	3	109.4567	0.445	354	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	109.4432	0.034	5	109.4598	0.001	13	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4638	0.024	6	109.4598	0.001	13	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,2|C<3>}	H(CN[6]HH)	109.4890	0.054	2	109.4598	0.001	13	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	H(CN[6]HH)	109.4917	0.036	12	109.4859	0.001	15	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	H(CN[6]HH)	109.4627	0.031	3	109.4859	0.001	15	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4769	0.034	8	109.4769	0.001	8	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]Rh)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]Rh)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	H(CN[6]HH)	109.4563	0.020	3	109.4563	0.000	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4598	0.219	6	109.4638	0.016	17	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4583	0.022	3	109.4638	0.016	17	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4689	0.031	8	109.4638	0.016	17	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,4|C<3>}	H(CN[6]HH)	109.4620	0.000	1	109.4620	0.000	1	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.0213	2.640	12	109.0213	6.971	12	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[6]HH)	109.4670	0.236	6	109.4670	0.056	6	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	108.4868	2.440	12	108.6319	5.175	14	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.5025	0.011	2	108.6319	5.175	14	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	H(CN[6]HH)	109.4774	0.039	8	109.4774	0.001	8	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]O)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]O)2(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	110.3150	1.433	6	109.8301	0.982	14	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]O)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]O)2(CH3){3|C<3>}	H(CN[6]HH)	109.4620	0.034	3	109.8301	0.982	14	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]O)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]O)2(CH3){3|C<4>}	H(CN[6]HH)	109.4690	0.064	5	109.8301	0.982	14	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]Rh)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]Rh)(C[6]N[6]O)(CH3){3|C<4>}	H(CN[6]HH)	109.4327	0.030	3	109.4327	0.001	3	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]S)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]S)2(CH3){1|C<3>,1|C<4>}	H(CN[6]HH)	109.4669	0.034	11	109.0667	2.111	22	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]S)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]S)2(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	109.4603	0.054	9	109.0667	2.111	22	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]S)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]S)2(CH3){1|C<3>}	H(CN[6]HH)	105.0945	3.095	2	109.0667	2.111	22	109.4722	0.501	2657	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	109.4510	0.056	3	109.4510	0.003	3	109.4732	0.001	41	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[6]HH)	109.4711	0.027	18	109.4704	0.001	20	109.4732	0.001	41	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|O<1>,2|C<4>}	H(CN[6]HH)	109.4645	0.013	2	109.4704	0.001	20	109.4732	0.001	41	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]S)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CN[6]HH)	109.4800	0.022	18	109.4800	0.000	18	109.4732	0.001	41	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4560	0.017	3	109.4560	0.000	3	109.4651	0.001	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Co)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Co)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	109.4565	0.018	6	109.4565	0.000	6	109.4651	0.001	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	109.4670	0.035	6	109.4670	0.001	6	109.4651	0.001	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Fe)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Fe)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	109.4681	0.027	7	109.4681	0.001	7	109.4651	0.001	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Mn)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Mn)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	109.5023	0.034	3	109.4577	0.004	6	109.4651	0.001	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Mn)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Mn)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4130	0.062	3	109.4577	0.004	6	109.4651	0.001	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Ni)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Ni)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	109.4691	0.043	9	109.4691	0.002	9	109.4651	0.001	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]HH)	109.4925	0.022	2	109.4925	0.000	2	109.4651	0.001	39	109.4735	0.529	3565	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[4a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[4a,6]C[6])(H)3	N[6](C[4a,6]C[4a,6]C[4a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[4a,6]C[6])(H)3	N[6](C[4a,6]C[4a,6]C[4a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(CN[6]HH)	109.4607	0.020	3	109.4607	0.000	3	109.4607	0.000	3	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(CN[6]HH)	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(CN[6]HH)	109.4713	0.030	3	109.4713	0.001	3	109.4713	0.001	3	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:S[6]-4:C-4:	C-4:	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4720	0.037	14	109.4720	0.001	14	109.4720	0.001	14	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4100	0.028	2	109.4100	0.001	2	109.5222	0.461	12	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.5020	0.006	2	109.5020	0.000	2	109.5222	0.461	12	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){1|B<3>,2|H<1>,3|C<4>}	H(CN[6]HH)	109.4605	0.011	2	109.5553	0.719	8	109.5222	0.461	12	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){1|Cu<2>,2|H<1>,3|C<4>}	H(CN[6]HH)	109.7073	1.569	3	109.5553	0.719	8	109.5222	0.461	12	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){3|C<4>,3|H<1>}	H(CN[6]HH)	109.4663	0.014	3	109.5553	0.719	8	109.5222	0.461	12	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6]S[6])(H)3	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]S[6])(H)3	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4427	0.017	3	109.4427	0.000	3	109.4427	0.000	3	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]B[6,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	H(CN[6]HH)	109.4667	0.032	8	109.4667	0.001	8	109.4667	0.001	8	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	H(CN[6]HH)	109.5083	0.015	3	109.5083	0.000	3	109.5083	0.000	3	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3){3|H<1>,6|C<3>}	H(CN[6]HH)	112.0504	10.181	6	112.0504	103.654	6	109.9344	32.021	26	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(CN[6]HH)	109.4829	0.032	9	109.4748	0.002	12	109.9344	32.021	26	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(CN[6]HH)	109.4507	0.057	3	109.4748	0.002	12	109.9344	32.021	26	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(CN[6]HH)	108.2442	11.031	3	108.2442	121.686	3	109.9344	32.021	26	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[6]HH)	109.5120	0.032	5	109.5120	0.001	5	109.9344	32.021	26	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HH)	110.6582	1.656	35	110.6582	2.741	35	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(CN[6]HH)	109.4635	0.025	2	109.4635	0.001	2	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	H(CN[6]HH)	109.4840	0.014	3	109.4840	0.000	3	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4350	0.000	1	109.4816	0.001	7	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|H<1>,1|N<3>,4|C<3>}	H(CN[6]HH)	109.5060	0.014	3	109.4816	0.001	7	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4727	0.036	3	109.4816	0.001	7	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.5410	0.035	2	109.5410	0.001	2	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CN[6]HH)	109.8177	0.668	3	109.6830	0.258	5	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4810	0.047	2	109.6830	0.258	5	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CN[6]HH)	109.4645	0.040	11	109.4703	0.001	16	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4832	0.015	5	109.4703	0.001	16	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(CN[6]HH)	109.9200	2.031	11	109.9200	4.126	11	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3){1|C<4>,1|H<1>,6|C<3>}	H(CN[6]HH)	109.4630	0.051	3	109.4630	0.003	3	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(CN[6]HH)	109.4487	0.018	3	109.4542	0.001	6	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	H(CN[6]HH)	109.4597	0.038	3	109.4542	0.001	6	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	H(CN[6]HH)	109.4593	0.018	3	109.4593	0.000	3	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	H(CN[6]HH)	109.4575	0.026	2	109.4575	0.001	2	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.1833	1.390	3	109.1833	1.933	3	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	H(CN[6]HH)	111.0660	1.006	3	111.0660	1.012	3	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	H(CN[6]HH)	109.4646	0.043	5	109.4646	0.002	5	109.9567	1.677	106	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|Cl<1>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4742	0.046	15	109.4677	0.001	52	109.4677	0.001	52	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4563	0.049	6	109.4677	0.001	52	109.4677	0.001	52	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Br<1>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4550	0.030	3	109.4677	0.001	52	109.4677	0.001	52	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Cl<1>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4650	0.023	2	109.4677	0.001	52	109.4677	0.001	52	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	H(CN[6]HH)	109.4682	0.028	26	109.4677	0.001	52	109.4677	0.001	52	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C-4:	C(N[6]B[6]C[6])(H)3	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3)	H(CN[6]HH)	C(N[6]B[6]C[6])(H)3	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3){1|H<1>,2|C<4>}	H(CN[6]HH)	111.8314	6.230	9	111.8314	38.808	9	111.2507	29.328	12	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C-4:	C(N[6]B[6]C[6])(H)3	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3)	H(CN[6]HH)	C(N[6]B[6]C[6])(H)3	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3){2|C<3>}	H(CN[6]HH)	109.5087	0.026	3	109.5087	0.001	3	111.2507	29.328	12	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CN[6]HH)	109.4690	0.018	2	109.4690	0.000	2	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CN[6]HH)	109.4620	0.000	1	109.4808	0.001	35	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4806	0.034	23	109.4808	0.001	35	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4540	0.010	2	109.4808	0.001	35	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6]HH)	109.4940	0.024	6	109.4808	0.001	35	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|N<3>,1|O<1>,2|C<4>}	H(CN[6]HH)	109.4800	0.020	3	109.4808	0.001	35	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6]HH)	109.4840	0.010	3	109.4840	0.000	3	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(CN[6]HH)	109.4710	0.018	3	109.4710	0.000	3	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6]HH)	109.4710	0.004	2	109.4710	0.000	2	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CN[6]HH)	109.4770	0.029	3	109.4770	0.001	3	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4593	0.024	3	109.4593	0.001	3	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4686	0.028	24	109.4625	0.001	35	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6]HH)	109.4060	0.049	2	109.4625	0.001	35	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6]HH)	109.4590	0.048	9	109.4625	0.001	35	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4667	0.028	8	109.4667	0.001	8	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	109.4450	0.055	4	109.4450	0.003	4	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C)(C[6]C[6]CC)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C)(C[6]C[6]CC)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4677	0.072	3	109.4677	0.005	3	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4865	0.015	2	109.4749	0.001	9	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4790	0.025	2	109.4749	0.001	9	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4605	0.043	2	109.4749	0.001	9	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){3|C<3>}	H(CN[6]HH)	109.4740	0.054	3	109.4749	0.001	9	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	H(CN[6]HH)	109.4765	0.012	2	109.4765	0.000	2	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CN[6]HH)	109.4803	0.028	3	109.4803	0.001	3	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CN[6]HH)	109.4761	0.026	9	109.4765	0.001	23	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4767	0.043	14	109.4765	0.001	23	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4653	0.021	3	109.4653	0.000	3	109.4717	0.001	141	109.6934	3.536	384	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(H)3	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]B[6]C[6])(H)3	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	H(CN[6]HH)	110.6440	1.288	9	110.6440	1.659	9	110.4299	1.555	11	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(H)3	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]B[6]C[6])(H)3	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4665	0.067	2	109.4665	0.005	2	110.4299	1.555	11	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[3,6]C[6])(H)3	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[3,6]C[6])(H)3	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(CN[6]HH)	109.4619	0.043	7	109.4619	0.002	7	109.4619	0.002	7	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CN[6]HH)	109.4661	0.019	13	109.4726	0.001	25	109.4550	1.033	37	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	H(CN[6]HH)	109.4665	0.012	4	109.4726	0.001	25	109.4550	1.033	37	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4861	0.027	8	109.4726	0.001	25	109.4550	1.033	37	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	H(CN[6]HH)	109.4800	0.031	3	109.4800	0.001	3	109.4550	1.033	37	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CN[6]HH)	109.2483	4.304	3	109.2483	18.522	3	109.4550	1.033	37	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]O[4]C)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]O[4]C)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4847	0.026	3	109.4847	0.001	3	109.4550	1.033	37	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]O[4]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[4,6]C[6])(H)3	N[6](C[4,6]C[4,6]O[4]H)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4610	0.052	3	109.4610	0.003	3	109.4550	1.033	37	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	H(CN[6]HH)	109.4840	0.027	2	109.4840	0.001	2	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Pd)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Pd)(CH3){1|C<3>,2|H<1>,4|C<4>}	H(CN[6]HH)	109.4800	0.039	9	109.4800	0.002	9	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]O)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	H(CN[6]HH)	109.4887	0.027	3	109.4887	0.001	3	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	H(CN[6]HH)	109.4747	0.017	3	109.4747	0.000	3	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,5|C<3>}	H(CN[6]HH)	109.4770	0.040	3	109.4770	0.002	3	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	H(CN[6]HH)	109.4690	0.088	2	109.4690	0.008	2	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(CN[6]HH)	109.4683	0.037	3	109.4683	0.001	3	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CN[6]HH)	109.4615	0.035	6	109.4615	0.001	6	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3){1|O<1>,2|C<3>,2|C<4>}	H(CN[6]HH)	109.4877	0.021	3	109.4877	0.000	3	109.4760	0.001	34	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|H<1>,5|C<3>}	H(CN[6]HH)	109.4567	0.053	3	109.4635	0.002	6	109.4674	0.001	10	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,3|C<4>,5|C<3>}	H(CN[6]HH)	109.4703	0.038	3	109.4635	0.002	6	109.4674	0.001	10	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[6]HH)	109.4733	0.018	4	109.4733	0.000	4	109.4674	0.001	10	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3){1|N<3>,3|C<3>}	H(CN[6]HH)	109.4960	0.003	4	109.4960	0.000	4	109.4897	0.003	7	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3){5|C<3>}	H(CN[6]HH)	109.4813	0.087	3	109.4813	0.008	3	109.4897	0.003	7	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4773	0.025	3	109.4773	0.001	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[6]HH)	109.4863	0.055	3	109.4863	0.003	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3){1|Fe<10>,3|C<4>}	H(CN[6]HH)	109.4740	0.030	3	109.4740	0.001	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[6]HH)	109.4937	0.028	3	109.4937	0.001	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.5215	0.043	2	109.4797	0.002	13	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4660	0.038	3	109.4797	0.002	13	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(CN[6]HH)	109.4686	0.053	5	109.4797	0.002	13	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4840	0.019	3	109.4797	0.002	13	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,4|C<3>}	H(CN[6]HH)	109.4810	0.025	3	109.4810	0.001	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3){2|C<3>}	H(CN[6]HH)	109.4897	0.011	3	109.4897	0.000	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CN[6]HH)	109.4893	0.043	3	109.4893	0.002	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CN[6]HH)	109.4658	0.042	5	109.4658	0.002	5	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4657	0.018	3	109.4622	0.000	5	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CN[6]HH)	109.4570	0.008	2	109.4622	0.000	5	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	H(CN[6]HH)	109.4655	0.026	2	109.4655	0.001	2	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4745	0.016	6	109.4745	0.000	6	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4533	0.050	15	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CN[6]HH)	109.4750	0.020	3	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(CN[6]HH)	109.4840	0.031	3	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4800	0.024	2	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|S<2>,3|H<1>}	H(CN[6]HH)	109.4670	0.034	3	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4759	0.036	39	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(CN[6]HH)	109.4676	0.028	8	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]HH)	109.4586	0.023	8	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	H(CN[6]HH)	109.4507	0.032	3	109.4686	0.001	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	H(CN[6]HH)	109.4853	0.031	10	109.4853	0.001	10	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(CN[6]HH)	109.4670	0.028	3	109.4534	0.009	21	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4767	0.047	3	109.4534	0.009	21	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CN[6]HH)	109.4900	0.075	9	109.4534	0.009	21	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(CN[6]HH)	109.4733	0.024	3	109.4534	0.009	21	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.2870	0.115	3	109.4534	0.009	21	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4534	0.030	8	109.4534	0.001	8	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(CN[6]HH)	109.4715	0.025	2	109.4715	0.001	2	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6]HH)	109.4673	0.017	3	109.4782	0.001	11	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(CN[6]HH)	109.4750	0.047	3	109.4782	0.001	11	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	H(CN[6]HH)	109.4866	0.036	5	109.4782	0.001	11	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4516	0.028	5	109.4553	0.001	6	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4740	0.000	1	109.4553	0.001	6	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(CN[6]HH)	109.4737	0.008	3	109.4737	0.000	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(CN[6]HH)	109.4720	0.000	1	109.4720	0.000	1	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4607	0.044	3	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4698	0.031	6	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CN[6]HH)	109.4745	0.033	6	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4785	0.016	2	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,3|H<1>}	H(CN[6]HH)	109.4520	0.032	3	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|I<1>}	H(CN[6]HH)	109.4660	0.034	3	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|S<2>}	H(CN[6]HH)	109.4778	0.028	13	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]HH)	109.4767	0.484	6	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<1>,2|H<1>}	H(CN[6]HH)	109.4577	0.016	3	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<2>,2|H<1>}	H(CN[6]HH)	109.4550	0.077	3	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4415	0.009	2	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	H(CN[6]HH)	109.4586	0.035	5	109.4681	0.023	55	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4770	0.037	6	109.3874	0.719	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	H(CN[6]HH)	109.4679	0.044	12	109.3874	0.719	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]HH)	109.4667	0.036	3	109.3874	0.719	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<2>,2|H<1>}	H(CN[6]HH)	109.4060	0.166	3	109.3874	0.719	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	H(CN[6]HH)	108.4250	3.231	6	109.3874	0.719	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	H(CN[6]HH)	109.4611	0.162	54	109.3874	0.719	84	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4737	0.010	3	109.4737	0.000	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.5055	0.019	2	109.4646	0.002	19	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.4598	0.039	17	109.4646	0.002	19	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<4>,3|H<1>}	H(CN[6]HH)	109.4807	0.041	3	109.4683	0.004	108	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.4679	0.062	105	109.4683	0.004	108	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.4714	0.036	8	109.4714	0.001	8	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.4835	0.057	8	109.4835	0.003	8	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CN[6]HH)	109.4616	0.030	5	109.4616	0.001	5	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4943	0.010	3	109.4943	0.000	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]HH)	109.4659	0.047	11	109.4659	0.002	11	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]YbO)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]YbO)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]HH)	109.4922	0.024	6	109.4922	0.001	6	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4694	0.021	7	109.4694	0.000	7	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	H(CN[6]HH)	109.4585	0.033	11	109.4585	0.001	11	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>,3|C<3>}	H(CN[6]HH)	109.4543	0.040	4	109.4543	0.002	4	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(CN[6]HH)	109.4772	0.030	5	109.5623	0.403	20	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(CN[6]HH)	109.4653	0.043	6	109.5623	0.403	20	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(CN[6]HH)	109.4357	0.056	3	109.5623	0.403	20	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	110.1210	1.807	3	109.5623	0.403	20	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){2|H<1>,4|C<3>}	H(CN[6]HH)	109.4663	0.026	3	109.5623	0.403	20	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	H(CN[6]HH)	109.4600	0.021	5	109.4600	0.000	5	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	H(CN[6]HH)	109.4780	0.008	2	109.4780	0.000	2	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	H(CN[6]HH)	109.4755	0.029	6	109.4755	0.001	6	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){1|H<1>,2|C<4>}	H(CN[6]HH)	109.4630	0.039	7	109.4786	0.002	13	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){3|C<4>}	H(CN[6]HH)	109.4968	0.057	6	109.4786	0.002	13	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	109.4710	0.038	3	109.4710	0.001	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SrO)(C[6]C[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SrO)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>}	H(CN[6]HH)	109.4725	0.018	2	109.4725	0.000	2	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3){2|C<4>}	H(CN[6]HH)	109.3360	0.472	12	109.3360	0.223	12	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3){2|C<4>}	H(CN[6]HH)	109.4920	0.026	3	109.4920	0.001	3	109.4584	0.122	596	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	Ga[6]-4:C[6]-3:C-4:	C-4:	C(N[6]Ga[6]C[6])(H)3	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3)	H(CN[6]HH)	C(N[6]Ga[6]C[6])(H)3	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	H(CN[6]HH)	109.4737	0.023	3	109.4737	0.001	3	109.4737	0.001	3	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)(CH3)	H(CN[6]HH)	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)(CH3){1|P<4>,2|C<3>}	H(CN[6]HH)	107.6393	3.754	3	107.6393	14.093	3	107.6393	14.093	3	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	H(CN[6]HH)	109.5533	0.541	18	109.5326	0.209	25	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	H(CN[6]HH)	109.4793	0.028	7	109.5326	0.209	25	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|O<1>}	H(CN[6]HH)	109.4694	0.016	5	109.5298	2.081	100	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4490	0.212	3	109.5298	2.081	100	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	H(CN[6]HH)	109.8489	1.796	43	109.5298	2.081	100	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	H(CN[6]HH)	109.2609	1.142	49	109.5298	2.081	100	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	H(CN[6]HH)	109.4588	0.040	5	109.4588	0.002	5	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	H(CN[6]HH)	109.4665	0.023	6	109.4665	0.001	6	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3){2|C<3>}	H(CN[6]HH)	109.4700	0.024	5	109.4700	0.001	5	109.5230	1.508	141	109.4763	0.455	849	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(N[6]P[6]2)(H)3	N[6](P[6]N[6]Cl2)2(CH3)	H(CN[6]HH)	C(N[6]P[6]2)(H)3	N[6](P[6]N[6]Cl2)2(CH3){1|P<4>}	H(CN[6]HH)	109.4640	0.019	3	109.4640	0.000	3	109.4693	0.001	16	109.4693	0.001	16	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(N[6]P[6]2)(H)3	N[6](P[6]N[6]NN)2(CH3)	H(CN[6]HH)	C(N[6]P[6]2)(H)3	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	H(CN[6]HH)	109.4705	0.036	13	109.4705	0.001	13	109.4693	0.001	16	109.4693	0.001	16	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	6:3:4:	4:	N[6]-3:H-1:H-1:H-1:	Si[5,6,6]-6:C[6]-3:C-4:	C-4:	C(N[6]Si[5,6,6]C[6])(H)3	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]Si[5,6,6]C[6])(H)3	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3){3|C<4>,8|C<3>}	H(CN[6]HH)	109.4570	0.035	8	109.4570	0.001	8	109.4570	0.001	8	109.4570	0.003	13	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:1:1:1:	6:3:4:	4:	N[6]-3:H-1:H-1:H-1:	Si[6,6]-6:C[6]-3:C-4:	C-4:	C(N[6]Si[6,6]C[6])(H)3	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3)	H(CN[6]HH)	C(N[6]Si[6,6]C[6])(H)3	N[6](Si[6,6]C[6a]N[6]O[6]2O)(C[6]C[6,6a]C)(CH3){1|C<4>,6|C<3>}	H(CN[6]HH)	109.4570	0.089	5	109.4570	0.008	5	109.4570	0.008	5	109.4570	0.003	13	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	H(CN[6]CH)	108.2080	0.023	2	108.7070	0.152	6	108.7070	0.152	6	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.9565	0.062	4	108.7070	0.152	6	108.7070	0.152	6	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC)(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>}	H(CN[6]CH)	109.0230	0.081	2	108.9109	0.346	15	108.9109	0.346	15	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC)(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>}	H(CN[6]CH)	108.6462	1.037	5	108.9109	0.346	15	108.9109	0.346	15	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC)(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>}	H(CN[6]CH)	109.0567	0.020	6	108.9109	0.346	15	108.9109	0.346	15	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	H(CN[6]CH)	109.0235	0.016	2	108.9109	0.346	15	108.9109	0.346	15	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	109.2558	0.219	4	109.2558	0.048	4	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	109.2885	0.042	4	109.2885	0.002	4	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	109.5570	0.018	2	109.2988	0.109	6	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|I<1>}	H(CN[6]CH)	108.8760	0.017	2	109.2988	0.109	6	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.4635	0.025	2	109.2988	0.109	6	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	104.0500	2.892	2	104.0500	8.364	2	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	109.0830	0.047	2	109.0104	0.008	8	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.9862	0.085	6	109.0104	0.008	8	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.2707	0.318	3	109.2707	0.101	3	108.8135	2.259	27	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(OC)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHO)	H(CN[6]HO)	C(N[6]C[6,6a]C[6])(OC)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHO){1|H<1>,4|C<3>}	H(CN[6]HO)	109.9587	0.014	3	109.9587	0.000	3	109.9587	0.000	3	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(SeC[6a])(H)2	N[6](C[6]C[6]H)2(CSeHH)	H(CN[6]SeH)	C(N[6]C[6]2)(SeC[6a])(H)2	N[6](C[6]C[6]H)2(CSeHH){1|C<3>,2|H<1>}	H(CN[6]SeH)	109.3740	0.055	2	109.3740	0.003	2	109.3740	0.003	2	108.9150	1.319	53	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	3:4:4:	4:	N[6]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(OC)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO)	H(CN[6]HO)	C(N[6]C[6,6a]C[6])(OC)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO){1|C<4>,4|C<3>}	H(CN[6]HO)	109.0745	0.035	2	109.0745	0.001	2	109.0745	0.001	2	109.0745	0.001	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(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>}	H(CN[6]CH)	108.3710	0.032	3	108.3710	0.001	3	108.3710	0.001	3	108.3710	0.001	3	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:2:4:1:	3:3:4:	4:	N[6]-3:O-2:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(OC[6a])(CIrHH)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CCHO)	H(CN[6]CO)	C(N[6]C[6]2)(OC[6a])(CIrHH)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(CN[6]CO)	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|H<1>,1|S<2>,3|C<3>}	H(CC[5a]N[6]H)	109.7775	0.012	2	109.5004	0.155	9	109.5004	0.155	9	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|S<2>,2|C<3>,3|H<1>}	H(CC[5a]N[6]H)	109.4213	0.417	7	109.5004	0.155	9	109.5004	0.155	9	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]N[6]H)	109.4260	0.004	2	109.4260	0.000	2	109.5928	0.069	6	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH){1|C<3>,1|H<1>}	H(CC[5a]N[6]H)	109.9325	0.023	2	109.9325	0.001	2	109.5928	0.069	6	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(CC[5a]N[6]H)	109.4200	0.004	2	109.4200	0.000	2	109.5928	0.069	6	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){2|H<1>,5|C<3>}	H(CC[6]N[6]H)	109.0070	0.004	2	109.0070	0.000	2	109.0070	0.000	2	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.7731	0.097	7	109.7731	0.009	7	108.8600	2.856	63	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)2(CC[6]HH){3|C<3>}	H(CC[6]N[6]H)	108.5847	1.317	42	108.5847	1.735	42	108.8600	2.856	63	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH){1|C<3>,1|C<4>}	H(CC[6]N[6]H)	109.3885	3.657	8	109.3885	13.371	8	108.8600	2.856	63	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.0345	0.546	4	109.0345	0.298	4	108.8600	2.856	63	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)2(CC[6]HH){3|C<3>}	H(CC[6]N[6]H)	108.9815	0.046	2	108.9815	0.002	2	108.8600	2.856	63	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[5,6]C[6,6])(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.7300	0.010	2	108.7300	0.000	2	108.7300	0.000	2	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6,6]2)(H)2	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6,6]2)(H)2	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH){2|C<3>,3|C<4>,4|H<1>}	H(CC[6a]N[6]H)	108.9050	0.237	4	108.9050	0.056	4	108.9050	0.056	4	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	105.0919	1.181	8	105.0919	1.396	8	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.7925	0.030	2	108.7182	0.008	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.6440	0.048	2	108.7182	0.008	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[6]H)	109.1520	0.024	2	109.1520	0.001	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[6a]N[6]H)	108.7360	0.020	2	108.7360	0.000	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|P<4>}	H(CC[6a]N[6]H)	109.4253	0.048	4	109.4253	0.002	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[6]H)	109.1530	0.000	1	109.1530	0.000	1	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	107.5320	0.491	2	108.3030	0.873	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.0740	0.008	2	108.3030	0.873	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	H(CC[6a]N[6]H)	109.3630	0.037	2	109.3630	0.001	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|N<2>}	H(CC[6a]N[6]H)	108.9753	0.069	4	108.9753	0.005	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	109.1320	0.038	2	109.1320	0.001	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6]H)	108.9130	0.007	2	108.9130	0.000	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]N[6]H)	109.0735	0.249	4	109.0735	0.062	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.1065	0.005	2	109.1065	0.000	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH){1|H<1>,3|C<4>}	H(CC[6a]N[6]H)	109.0890	0.014	2	109.0890	0.000	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6]H)	109.0440	0.064	2	109.0440	0.004	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.3712	0.433	25	109.3712	0.187	25	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]Ir)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]Ir)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.4797	0.312	4	109.4797	0.097	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]N[6]H)	109.6658	0.238	4	109.2103	0.174	10	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9067	0.054	6	109.2103	0.174	10	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.4253	0.144	3	108.4253	0.021	3	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.9345	0.296	4	108.9345	0.088	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6]H)	109.0140	0.011	2	109.0140	0.000	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	H(CC[6a]N[6]H)	109.0589	0.338	25	109.0589	0.114	25	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	108.9045	0.019	2	108.9539	0.086	29	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]N[6]H)	108.9789	0.353	13	108.9539	0.086	29	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9497	0.284	12	108.9539	0.086	29	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.8660	0.016	2	108.9539	0.086	29	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	H(CC[6a]N[6]H)	108.5549	0.171	8	108.5549	0.029	8	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(CC[6a]N[6]H)	109.0125	0.029	2	108.4925	0.734	12	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6a]N[6]H)	108.8795	0.056	4	108.4925	0.734	12	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	H(CC[6a]N[6]H)	106.9540	0.915	2	108.4925	0.734	12	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.0475	0.021	2	108.4925	0.734	12	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(CC[6a]N[6]H)	109.1820	0.006	2	108.4925	0.734	12	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.6752	0.135	5	108.6752	0.018	5	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]D)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,1|D<1>}	H(CC[6a]N[6]H)	109.2345	0.033	2	109.1058	0.090	13	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]D)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,2|D<1>}	H(CC[6a]N[6]H)	109.0824	0.322	11	109.1058	0.090	13	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9734	0.323	19	108.9734	0.104	19	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]N[6]H)	108.3710	0.041	2	108.3710	0.002	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	108.9813	0.247	7	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.1580	0.017	2	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.3913	0.570	22	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	H(CC[6a]N[6]H)	108.8764	0.732	23	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(CC[6a]N[6]H)	109.0052	0.123	4	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	H(CC[6a]N[6]H)	108.9405	0.436	12	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>}	H(CC[6a]N[6]H)	104.2455	0.062	2	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.0858	0.170	5	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3342	0.801	639	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	H(CC[6a]N[6]H)	108.9830	0.448	7	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.7198	0.149	6	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.9388	1.717	28	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|N<2>,2|H<1>}	H(CC[6a]N[6]H)	108.6340	0.000	1	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){3|C<3>}	H(CC[6a]N[6]H)	108.4765	0.193	2	109.2695	0.762	760	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH){1|C<4>,3|H<1>}	H(CC[6a]N[6]H)	109.0190	0.035	3	109.0190	0.001	3	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<2>,2|C<3>}	H(CC[6a]N[6]H)	109.2370	0.024	4	108.9390	0.044	22	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.9830	0.016	2	108.9390	0.044	22	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.8756	0.216	9	108.9390	0.044	22	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)2(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.8376	0.113	7	108.9390	0.044	22	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	106.2470	3.110	2	106.2470	9.671	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.9255	0.005	2	108.9255	0.000	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.8125	0.005	2	108.8125	0.000	2	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	H(CC[6a]N[6]H)	108.9490	0.530	4	108.9490	0.281	4	109.1649	0.807	1001	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CN[5]HH)	H(CN[5]N[6]H)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(CN[5]N[6]H)	109.2975	0.028	2	109.2975	0.001	2	109.2975	0.001	2	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:F-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]Ru)(F)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFH)	H(CN[6]CF)	C(N[6]C[6]2)(CC[6a]Ru)(F)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFH){1|C<3>,2|H<1>}	H(CN[6]CF)	106.6560	0.000	1	106.6560	0.000	1	106.6560	0.000	1	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[6,6]2)(CCH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]2)(CCH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(CN[6]CH)	108.9240	0.014	2	108.9240	0.000	2	109.1959	0.185	8	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[6,6]2)(COO)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]2)(COO)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(CN[6]CH)	109.2865	0.468	6	109.2865	0.219	6	109.1959	0.185	8	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	111.5660	0.006	2	111.5660	0.000	2	111.5660	0.000	2	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCH)(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>}	H(CN[6]CH)	108.7220	0.010	2	108.7220	0.000	2	108.9855	0.145	18	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCH)(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>}	H(CN[6]CH)	109.5865	0.029	2	109.5865	0.001	2	108.9855	0.145	18	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCI)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCI)(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>}	H(CN[6]CH)	108.5855	0.008	2	108.5855	0.000	2	108.9855	0.145	18	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CNO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CNO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	H(CN[6]CH)	109.1940	0.058	4	109.1940	0.003	4	108.9855	0.145	18	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(COO)(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>}	H(CN[6]CH)	108.8837	0.455	4	108.9985	0.156	6	108.9855	0.145	18	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	H(CN[6]CH)	109.2280	0.008	2	108.9985	0.156	6	108.9855	0.145	18	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CSS)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CSS)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(CN[6]CH)	108.5920	0.020	2	108.5920	0.000	2	108.9855	0.145	18	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	H(CN[6]CH)	109.0047	0.600	3	109.0047	0.361	3	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]O)2(CCHH){1|C<4>,2|C<3>,2|H<1>}	H(CN[6]CH)	109.0997	0.022	3	109.0997	0.000	3	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	109.4160	0.016	2	109.4160	0.000	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.2075	0.005	2	109.2075	0.000	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.2570	0.062	4	109.2570	0.004	4	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.1092	0.229	10	108.4843	1.311	16	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	107.4427	1.325	6	108.4843	1.311	16	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]O)2(CCHH){1|N<3>,1|O<1>,2|C<4>}	H(CN[6]CH)	108.7740	0.000	1	108.7740	0.000	1	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCO)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.4055	0.046	2	109.4055	0.002	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[3x6]O)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[3x6]O)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.3928	0.397	6	109.3928	0.158	6	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[5a]H)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5a]H)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.2180	0.000	1	109.2180	0.000	1	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[5a]N)(H)2	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5a]N)(H)2	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CN[6]CH)	109.0740	0.033	2	109.0740	0.001	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]N)(H)2	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]N)(H)2	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CN[6]CH)	109.2064	0.257	5	109.2064	0.066	5	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]O)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]O)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	109.5855	0.006	2	109.3840	0.182	29	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]O)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]O)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.3691	0.439	27	109.3840	0.182	29	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	109.9380	0.204	4	109.9380	0.042	4	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.3392	0.284	11	109.4282	0.074	30	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	109.4797	0.258	19	109.4282	0.074	30	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CN[6]CH)	109.3680	0.023	2	109.3680	0.001	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){5|C<3>}	H(CN[6]CH)	109.3190	0.000	1	109.3190	0.000	1	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	109.0481	0.329	14	109.0481	0.108	14	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]CH)	109.1825	0.745	2	109.4185	0.145	6	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.5365	0.027	4	109.4185	0.145	6	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]CH)	109.5293	0.172	3	109.4887	0.013	7	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.4582	0.057	4	109.4887	0.013	7	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|F<1>}	H(CN[6]CH)	108.7850	0.029	3	108.7850	0.001	3	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]CH)	109.0062	0.097	10	108.9547	0.698	55	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.1440	0.431	39	108.9547	0.698	55	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	107.6382	1.936	6	108.9547	0.698	55	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH){1|Br<1>,1|B<4>,1|C<3>}	H(CN[6]CH)	109.9655	0.009	2	109.9655	0.000	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.6920	0.030	2	108.6920	0.001	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.7856	0.110	7	108.7856	0.012	7	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.6765	0.070	2	108.6765	0.005	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.8132	0.036	4	108.8132	0.001	4	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.4835	0.015	2	108.4835	0.000	2	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CSS)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.6544	0.354	16	108.6544	0.125	16	109.0978	0.418	233	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[5a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(N[6]C[6,6a]C[6])(C[5a]N[5a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|S<2>,2|C<3>,3|H<1>}	H(CC[5a]N[6]H)	108.9675	0.013	2	108.9675	0.000	2	108.9675	0.000	2	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.4380	0.010	2	108.4380	0.000	2	108.4380	0.000	2	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	H(CC[6a]N[6]H)	108.6175	0.009	2	108.8106	0.108	5	108.8106	0.108	5	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9393	0.393	3	108.8106	0.108	5	108.8106	0.108	5	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH){1|P<4>,3|C<4>,3|H<1>}	H(CC[6a]N[6]H)	109.0715	0.011	2	109.0715	0.000	2	109.0715	0.000	2	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]N[6]H)	108.6835	0.241	4	108.6790	0.045	8	108.6790	0.045	8	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	H(CC[6a]N[6]H)	108.6745	0.214	4	108.6790	0.045	8	108.6790	0.045	8	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|S<2>,2|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.0636	2.234	8	108.1504	3.194	12	108.1504	3.194	12	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|Si<4>,2|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.3240	0.057	4	108.1504	3.194	12	108.1504	3.194	12	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(CC[6a]N[6]H)	108.8113	0.058	4	108.8113	0.003	4	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.8912	0.420	4	108.8912	0.176	4	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.5430	0.000	1	108.5430	0.000	1	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.1330	0.010	2	108.1330	0.000	2	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[6]H)	109.1025	0.009	2	109.1025	0.000	2	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]N[6]H)	108.2420	0.000	1	108.2420	0.000	1	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.2840	0.058	2	108.2840	0.003	2	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.7747	0.283	6	108.2856	2.501	55	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	H(CC[6a]N[6]H)	103.8185	1.402	4	108.2856	2.501	55	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N[6]H)	107.6990	1.611	11	108.2856	2.501	55	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.9146	0.360	34	108.2856	2.501	55	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.0115	0.040	2	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.3700	0.014	2	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.4155	0.016	2	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	H(CC[6a]N[6]H)	108.7715	0.019	2	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	H(CC[6a]N[6]H)	107.8730	0.472	3	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]N[6]H)	108.7135	0.006	2	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.7122	0.190	4	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|S<2>,2|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.5025	0.022	2	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.6360	0.017	2	108.5385	0.137	21	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	109.2470	0.008	2	109.2470	0.000	2	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.6987	0.052	3	108.6357	0.004	7	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.5885	0.009	4	108.6357	0.004	7	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.1315	0.011	2	108.1315	0.000	2	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Ir)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.6208	0.074	4	108.6208	0.005	4	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9760	0.154	11	108.9760	0.024	11	108.4922	1.260	118	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.6310	0.008	2	108.6310	0.000	2	108.6310	0.000	2	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(NCH)(H)2	N[6](C[6]C[6]H)2(CHHN)	H(CN[6]HN)	C(N[6]C[6]2)(NCH)(H)2	N[6](C[6]C[6]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HN)	108.9463	0.051	3	108.9463	0.003	3	108.9043	0.029	10	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(NC[4]C)(H)2	N[6](C[6]C[6]H)2(CHHN)	H(CN[6]HN)	C(N[6]C[6]2)(NC[4]C)(H)2	N[6](C[6]C[6]H)2(CHHN){1|C<3>,2|H<1>}	H(CN[6]HN)	108.8863	0.204	7	108.8863	0.042	7	108.9043	0.029	10	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6,6a]H)2(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6,6a]H)2(CN[6]HH){3|C<3>}	H(CN[6]2H)	109.6961	0.317	7	109.6961	0.100	7	109.0529	4.389	56	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]H)2(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,1|H<1>}	H(CN[6]2H)	108.6450	4.138	8	108.9610	4.948	49	109.0529	4.389	56	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]H)2(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(CN[6]2H)	109.0227	1.708	41	108.9610	4.948	49	109.0529	4.389	56	109.0749	1.020	1568	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C-4:N[6]-2:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6])	H(CC[6a]N[6]H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.1315	0.018	2	109.1315	0.000	2	109.1315	0.000	2	109.1315	0.000	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH){1|H<1>,2|C<3>}	H(CC[5a]N[6]H)	108.9380	0.075	2	108.9380	0.006	2	108.9380	0.006	2	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.9780	0.027	2	108.9780	0.001	2	108.9780	0.001	2	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]N[6]H)	108.6270	0.103	5	108.6270	0.011	5	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	H(CC[6a]N[6]H)	110.0035	0.473	2	110.0035	0.224	2	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.2955	0.013	2	108.2955	0.000	2	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	H(CC[6a]N[6]H)	108.6415	0.016	2	108.6415	0.000	2	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	H(CC[6a]N[6]H)	108.3705	0.021	2	108.3705	0.000	2	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.0315	0.049	2	108.9046	0.817	16	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]N[6]H)	109.0035	0.039	2	108.9046	0.817	16	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]N[6]H)	109.1420	0.288	4	108.9046	0.817	16	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.7785	0.289	2	108.9046	0.817	16	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.3727	1.826	4	108.9046	0.817	16	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3935	0.054	2	108.9046	0.817	16	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	H(CC[6a]N[6]H)	109.0332	0.133	4	109.0332	0.018	4	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.7440	0.000	1	109.2279	16.019	18	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	107.4455	0.173	2	109.2279	16.019	18	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]N[6]H)	111.5657	11.053	3	109.2279	16.019	18	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.9693	0.775	8	109.2279	16.019	18	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	109.0042	0.073	4	109.2279	16.019	18	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.6055	0.030	2	108.6055	0.001	2	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	109.1255	0.013	2	109.1255	0.000	2	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.6710	0.040	2	108.6710	0.002	2	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH){1|C<4>,3|C<3>}	H(CC[6a]N[6]H)	109.0590	0.014	2	109.0590	0.000	2	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.8470	0.126	8	108.8470	0.016	8	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	109.0380	0.371	3	109.0380	0.137	3	108.9611	4.229	70	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	H(CN[5a]N[6]H)	108.5980	0.041	2	108.5980	0.002	2	108.5980	0.002	2	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[5,6])(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH){1|Br<1>,1|S<2>,3|C<3>,3|C<4>}	H(CN[6]CH)	109.0270	0.000	1	109.0270	0.000	1	109.0270	0.000	1	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CN[6]CH)	108.8060	0.011	2	108.8060	0.000	2	108.8060	0.000	2	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	H(CN[6]CH)	108.3028	0.209	5	108.3028	0.044	5	108.3028	0.044	5	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[6]CH)	109.7635	0.013	2	109.7635	0.000	2	109.2825	0.161	6	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH){1|H<1>,3|C<3>}	H(CN[6]CH)	109.0420	0.192	4	109.0420	0.037	4	109.2825	0.161	6	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.8605	0.184	4	108.8605	0.034	4	108.8167	0.025	6	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.7290	0.027	2	108.7290	0.001	2	108.8167	0.025	6	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	H(CC[6a]N[6]H)	108.5180	0.017	2	108.5180	0.000	2	108.9745	0.075	10	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]N[6]H)	109.0886	0.149	8	109.0886	0.022	8	108.9745	0.075	10	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.8025	0.062	4	108.8025	0.004	4	108.9576	0.069	12	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){1|O<1>,2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	109.4625	0.011	2	109.0812	0.194	4	108.9576	0.069	12	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>,2|N<3>}	H(CC[6a]N[6]H)	108.7000	0.008	2	109.0812	0.194	4	108.9576	0.069	12	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9520	0.006	2	108.9520	0.000	2	108.9576	0.069	12	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	H(CC[6a]N[6]H)	109.0260	0.059	2	109.0260	0.004	2	108.9576	0.069	12	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]B[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]N[6]H)	108.2815	0.009	2	108.2815	0.000	2	108.2815	0.000	2	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.2695	0.033	2	108.2695	0.001	2	108.6130	0.158	4	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]N[6a])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.9565	0.005	2	108.9565	0.000	2	108.6130	0.158	4	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH){2|C<3>,2|C<4>,5|H<1>}	H(CC[6a]N[6]H)	108.2070	0.000	1	108.2070	0.000	1	108.2693	0.003	3	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.3005	0.013	2	108.3005	0.000	2	108.2693	0.003	3	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]N[6]H)	108.8420	0.006	2	108.8420	0.000	2	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[6]H)	110.3975	2.938	2	110.3975	8.632	2	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){3|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.3080	0.030	2	108.3080	0.001	2	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	H(CC[6a]N[6]H)	108.0077	0.093	6	108.5688	0.169	22	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	H(CC[6a]N[6]H)	108.3175	0.033	2	108.5688	0.169	22	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.7550	0.087	4	108.5688	0.169	22	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	H(CC[6a]N[6]H)	108.8735	0.143	4	108.5688	0.169	22	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	H(CC[6a]N[6]H)	109.0375	0.055	4	108.5688	0.169	22	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	H(CC[6a]N[6]H)	108.5845	0.062	2	108.5688	0.169	22	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.6050	0.016	2	108.6050	0.000	2	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.8250	0.037	2	108.8250	0.001	2	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	H(CC[6a]N[6]H)	108.9930	0.013	2	108.9930	0.000	2	108.7193	0.572	34	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6]H)	109.0805	0.028	2	109.0805	0.001	2	109.0805	0.001	2	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[5]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	H(CN[5]N[6]H)	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(CN[5]N[6]H)	109.0445	0.008	2	109.0445	0.000	2	109.0445	0.000	2	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[5]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	H(CN[5]N[6]H)	C(N[6]C[6,6a]C[6])(N[5]C[5]N[5])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	H(CN[5]N[6]H)	109.2422	0.050	4	109.2422	0.002	4	109.2422	0.002	4	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Al<4>,2|H<1>,3|C<4>}	H(CN[6]2H)	108.4537	0.046	7	108.8717	0.800	35	108.8717	0.800	35	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Cu<3>,2|H<1>,3|C<4>}	H(CN[6]2H)	108.4143	0.027	3	108.8717	0.800	35	108.8717	0.800	35	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Fe<4>,2|H<1>,3|C<4>}	H(CN[6]2H)	108.6667	0.023	3	108.8717	0.800	35	108.8717	0.800	35	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Pd<4>,2|H<1>,3|C<4>}	H(CN[6]2H)	109.2980	1.706	8	108.8717	0.800	35	108.8717	0.800	35	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){2|H<1>,4|C<4>}	H(CN[6]2H)	108.7247	0.714	6	108.8717	0.800	35	108.8717	0.800	35	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){3|C<4>,3|H<1>}	H(CN[6]2H)	109.1699	0.044	8	108.8717	0.800	35	108.8717	0.800	35	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:P-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	109.7875	0.975	4	109.7875	0.952	4	109.7875	0.952	4	108.8916	1.711	208	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[6]C[5,6]C[6])(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]O[5a])(N[6]C[5,6]C[6])(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH){1|H<1>,2|C<4>,3|C<3>}	H(CC[5a]N[6]H)	109.5325	0.016	2	109.5325	0.000	2	109.5325	0.000	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,4|H<1>}	H(CC[5a]N[6]H)	108.6510	0.000	1	108.6510	0.000	1	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5a]N[6]H)	109.1710	0.033	2	109.1710	0.001	2	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[5a]N[6]H)	109.4250	0.000	1	109.4250	0.000	1	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[5a]N[6]H)	108.8655	0.162	2	108.8655	0.026	2	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	H(CC[5a]N[6]H)	109.0170	0.010	2	109.0170	0.000	2	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH){2|C<4>,2|H<1>}	H(CC[5a]N[6]H)	109.2680	0.018	4	109.2680	0.000	4	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH){4|C<3>}	H(CC[5a]N[6]H)	109.0725	0.032	2	109.0725	0.001	2	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	H(CC[5a]N[6]H)	109.1755	0.026	2	109.0598	0.018	4	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){3|C<4>}	H(CC[5a]N[6]H)	108.9440	0.021	2	109.0598	0.018	4	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH){2|C<4>}	H(CC[5a]N[6]H)	106.2985	0.008	2	106.2985	0.000	2	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH){2|C<4>}	H(CC[5a]N[6]H)	108.9035	0.011	2	108.9035	0.000	2	108.8201	0.700	22	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Pd)(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Pd)(CC[6]HH){4|C<4>}	H(CC[6]N[6]H)	109.3752	0.290	4	109.3752	0.084	4	109.3752	0.084	4	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(CC[6a]N[6]H)	107.3255	0.254	2	107.3255	0.064	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.6855	0.005	2	108.6855	0.000	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.5380	0.027	2	109.5380	0.001	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.3410	0.024	2	108.3410	0.001	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	H(CC[6a]N[6]H)	109.1057	0.416	3	109.1057	0.173	3	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.4667	0.070	4	108.4667	0.005	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[6]H)	109.3415	0.035	2	109.3415	0.001	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	H(CC[6a]N[6]H)	108.8701	0.195	8	108.8701	0.038	8	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	H(CC[6a]N[6]H)	108.8010	0.079	2	108.8010	0.006	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	H(CC[6a]N[6]H)	109.2855	0.018	2	109.2855	0.000	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH){1|Ru<9>,2|C<3>}	H(CC[6a]N[6]H)	109.2955	0.039	2	109.2955	0.002	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.8735	0.011	2	108.8735	0.000	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6]H)	109.1675	0.006	2	109.1675	0.000	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.6105	0.030	2	108.6105	0.001	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(CC[6a]N[6]H)	109.2520	0.000	1	109.2520	0.000	1	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.0513	0.016	3	109.0513	0.000	3	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.6235	0.018	2	109.0331	0.241	28	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(CC[6a]N[6]H)	110.3020	0.274	2	109.0331	0.241	28	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.9085	0.088	4	109.0331	0.241	28	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(CC[6a]N[6]H)	108.8890	0.226	2	109.0331	0.241	28	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<2>,1|O<2>,2|C<4>}	H(CC[6a]N[6]H)	108.2270	0.291	2	109.0331	0.241	28	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	H(CC[6a]N[6]H)	108.8050	0.299	4	109.0331	0.241	28	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	H(CC[6a]N[6]H)	109.1200	0.234	10	109.0331	0.241	28	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	109.3955	0.040	2	109.0331	0.241	28	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.9333	0.091	4	108.9333	0.008	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	109.5037	0.054	4	108.5887	2.315	6	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	106.7585	1.232	2	108.5887	2.315	6	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.1930	0.000	1	108.8137	0.216	18	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.6710	0.358	4	108.8137	0.216	18	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.4090	0.010	2	108.8137	0.216	18	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]N[6]H)	109.3580	0.071	2	108.8137	0.216	18	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]N[6]H)	109.3287	0.183	3	108.8137	0.216	18	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	H(CC[6a]N[6]H)	108.7875	0.264	2	108.8137	0.216	18	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.4188	0.439	4	108.8137	0.216	18	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]N[6]H)	109.2075	0.030	2	109.0034	0.127	23	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	H(CC[6a]N[6]H)	108.9840	0.368	21	109.0034	0.127	23	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.7640	0.042	2	109.7640	0.002	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.1734	0.175	9	109.1734	0.031	9	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.8370	0.000	1	108.8370	0.000	1	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.4917	0.261	4	108.4917	0.068	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]N[6]H)	109.3877	0.015	4	109.3877	0.000	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(CC[6a]N[6]H)	106.7340	1.409	2	106.7340	1.984	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.6895	0.018	2	108.8143	0.021	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]N[6]H)	108.9390	0.017	2	108.8143	0.021	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH){1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]N[6]H)	109.0656	0.123	7	109.0656	0.015	7	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH){4|C<3>}	H(CC[6a]N[6]H)	108.9620	0.021	2	108.9620	0.000	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH){1|O<1>,4|C<3>}	H(CC[6a]N[6]H)	108.5450	0.095	4	108.5450	0.009	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	H(CC[6a]N[6]H)	109.1605	0.026	2	109.1605	0.001	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH){3|C<4>}	H(CC[6a]N[6]H)	109.1252	0.159	4	109.1252	0.025	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	H(CC[6a]N[6]H)	108.9047	0.280	7	108.9047	0.078	7	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.3510	0.042	2	109.3510	0.002	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH){3|C<4>}	H(CC[6a]N[6]H)	108.4275	0.074	4	108.4275	0.005	4	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH){2|C<4>}	H(CC[6a]N[6]H)	109.3890	0.000	1	109.3890	0.000	1	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH){2|Pt<4>,2|C<4>}	H(CC[6a]N[6]H)	109.2143	0.177	14	109.2143	0.031	14	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.2125	0.032	2	109.2125	0.001	2	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	H(CC[6a]N[6]H)	108.6089	0.238	20	108.6089	0.057	20	108.9037	0.277	215	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH)	H(CN[5]N[6]H)	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,5|C<4>}	H(CN[5]N[6]H)	108.7521	0.119	12	108.7521	0.014	12	108.7521	0.014	12	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CCH)(H)2	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CCH)(H)2	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	H(CN[6]CH)	109.4780	0.027	3	109.4780	0.001	3	109.4780	0.001	3	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[3x6]C[6])(CCH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CCH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,7|H<1>}	H(CN[6]CH)	108.7950	0.057	2	108.7950	0.003	2	108.7950	0.003	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]CH)	106.3015	0.390	2	106.3015	0.152	2	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>}	H(CN[6]CH)	108.9905	0.022	2	108.9905	0.000	2	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	H(CN[6]CH)	107.7990	0.342	2	107.7990	0.117	2	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH){2|C<4>}	H(CN[6]CH)	109.6340	0.027	2	109.6340	0.001	2	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH){2|C<3>}	H(CN[6]CH)	110.5673	6.349	4	110.5673	40.314	4	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|H<1>,5|C<3>}	H(CN[6]CH)	109.4835	0.021	2	109.4835	0.000	2	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]CH)	109.6000	0.004	2	109.0353	0.202	6	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	H(CN[6]CH)	108.7530	0.135	4	109.0353	0.202	6	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	109.1305	0.008	2	109.1305	0.000	2	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|C<4>,5|C<3>}	H(CN[6]CH)	109.0640	0.006	2	109.0640	0.000	2	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	H(CN[6]CH)	108.0805	0.046	2	108.0805	0.002	2	108.9788	6.100	26	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CCO)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCO)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	108.6685	0.030	2	108.6685	0.001	2	108.6532	0.001	4	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CC[6a]O)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	108.6380	0.021	2	108.6380	0.000	2	108.6532	0.001	4	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[5a]-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH)	H(CC[5a]N[6]H)	C(N[6]C[6]S[6])(C[5a]N[5a]2)(H)2	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH){2|C<3>}	H(CC[5a]N[6]H)	109.5790	0.013	2	109.5790	0.000	2	109.5790	0.000	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.4675	1.365	2	109.4675	1.864	2	108.5161	2.117	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	107.1760	3.089	2	107.1760	9.540	2	108.5161	2.117	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,5|C<3>}	H(CC[6a]N[6]H)	108.6970	0.062	3	108.6970	0.004	3	108.5161	2.117	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	H(CC[6a]N[6]H)	108.6335	0.005	2	108.6335	0.000	2	108.5161	2.117	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[3,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(CC[6a]N[6]H)	108.8075	0.515	2	108.8075	0.266	2	108.8075	0.266	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	H(CC[6a]N[6]H)	108.4735	0.008	2	108.4735	0.000	2	108.4735	0.000	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[4,6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,3x6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,3x6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH){8|C<3>}	H(CC[6a]N[6]H)	108.6790	0.037	2	108.6790	0.001	2	108.6790	0.001	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	H(CC[6a]N[6]H)	108.3595	0.036	2	108.3595	0.001	2	108.3595	0.001	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	H(CC[6a]N[6]H)	108.7770	0.033	4	108.7770	0.001	4	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH){2|C<4>,3|H<1>,3|O<2>}	H(CC[6a]N[6]H)	108.7125	0.005	2	108.7125	0.000	2	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,4|C<3>}	H(CC[6a]N[6]H)	107.9545	3.348	2	107.9545	11.210	2	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	109.2350	0.017	2	109.2350	0.000	2	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	H(CC[6a]N[6]H)	108.7617	0.136	9	108.7617	0.019	9	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH){2|H<1>,5|C<4>}	H(CC[6a]N[6]H)	109.0370	0.040	2	109.0370	0.002	2	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]N[6]H)(CC[6a]HH){1|H<1>,4|C<4>}	H(CC[6a]N[6]H)	108.7885	0.013	2	108.7885	0.000	2	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	H(CC[6a]N[6]H)	108.9247	0.320	6	108.9247	0.102	6	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	109.9700	0.030	2	109.9700	0.001	2	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH){2|C<4>,5|C<3>}	H(CC[6a]N[6]H)	107.7555	0.171	4	107.7555	0.029	4	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|O<2>,4|C<3>}	H(CC[6a]N[6]H)	108.8855	0.025	2	108.8855	0.001	2	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,5|C<3>}	H(CC[6a]N[6]H)	106.9190	2.219	2	106.9190	4.924	2	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(CC[6a]N[6]H)	106.8593	2.599	4	106.8593	6.752	4	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.6068	0.067	10	108.6068	0.005	10	108.5102	1.239	53	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(CC[6a]N[6]H)	108.7520	0.027	2	108.7520	0.001	2	108.5168	0.074	4	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	H(CC[6a]N[6]H)	108.2815	0.015	2	108.2815	0.000	2	108.5168	0.074	4	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(CC[6a]N[6]H)	109.1010	0.014	2	109.1010	0.000	2	109.0276	0.045	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,4|H<1>}	H(CC[6a]N[6]H)	108.7470	0.007	2	108.7470	0.000	2	109.0276	0.045	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.7870	0.000	1	108.7870	0.000	1	109.0276	0.045	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,4|C<3>}	H(CC[6a]N[6]H)	109.1443	0.042	3	109.1443	0.002	3	109.0276	0.045	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|N<3>}	H(CC[6a]N[6]H)	109.3320	0.000	1	109.3320	0.000	1	109.0276	0.045	9	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH){1|H<1>,4|C<3>}	H(CC[6a]N[6]H)	109.0700	0.943	2	109.0700	0.890	2	109.0700	0.890	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.5975	0.046	2	108.5975	0.002	2	108.6410	0.003	4	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6]H)	108.6845	0.011	2	108.6845	0.000	2	108.6410	0.003	4	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C-4:	C(N[6]Si[6]C[6])(C[6a]C[6a]2)(H)2	N[6](Si[6]Si[5]O[6]C)(C[6]C[6,6a]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]Si[6]C[6])(C[6a]C[6a]2)(H)2	N[6](Si[6]Si[5]O[6]C)(C[6]C[6,6a]C)(CC[6a]HH){1|C<4>,2|C<3>,2|N<3>}	H(CC[6a]N[6]H)	108.4480	0.023	2	108.4480	0.001	2	108.4480	0.001	2	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(NC[3]C)(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN)	H(CN[6]HN)	C(N[6]C[6,6a]C[5,6])(NC[3]C)(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(CN[6]HN)	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(NC[6a]H)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN)	H(CN[6]HN)	C(N[6]C[6]2)(NC[6a]H)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HN)	109.0114	0.067	5	109.0114	0.004	5	109.0114	0.004	5	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	H(CN[6]2H)	108.4005	0.285	29	108.4005	0.081	29	108.5004	0.054	62	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(CN[6]2H)	108.4907	0.020	4	108.5882	0.015	33	108.5004	0.054	62	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	H(CN[6]2H)	108.6017	0.124	29	108.5882	0.015	33	108.5004	0.054	62	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]2H)	109.4998	0.051	4	109.4998	0.003	4	109.4998	0.003	4	108.7966	0.740	456	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C-4:N[6]-2:	C-4:	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6])	H(CC[6a]N[6]H)	C(N[6]C[5,6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[6a]N[6]H)	108.7885	0.152	4	108.7885	0.023	4	108.7885	0.023	4	108.8448	0.015	10	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C-4:N[6]-2:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6])	H(CC[6a]N[6]H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	H(CC[6a]N[6]H)	108.9950	0.018	2	108.9950	0.000	2	108.8823	0.008	6	108.8448	0.015	10	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C-4:N[6]-2:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	H(CC[6a]N[6]H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.8225	0.016	2	108.8260	0.001	4	108.8823	0.008	6	108.8448	0.015	10	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C-4:N[6]-2:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	H(CC[6a]N[6]H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	H(CC[6a]N[6]H)	108.8295	0.060	2	108.8260	0.001	4	108.8823	0.008	6	108.8448	0.015	10	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	H(CC[6a]N[6]H)	108.8190	0.007	2	108.8190	0.000	2	108.8190	0.000	2	108.8190	0.000	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:1:1:	6:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	Si[6,6]-6:C[6]-3:C-4:	C-4:	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]Si[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.4793	0.045	4	108.4793	0.002	4	108.4793	0.002	4	108.4793	0.002	4	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(CC[6a]2N[6])	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	106.3035	0.199	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHH)(COO)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CHH)(COO)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,2|H<1>}	H(CN[6]CC)	105.9880	0.000	1	105.9880	0.000	1	105.9880	0.000	1	106.3035	0.199	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	3:4:2:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6]-3:C-4:N[6]-2:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6a]Ir)(CC[6a]2H)(N[6]C[6])	H(CC[6a]2N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6a]Ir)(CC[6a]2H)(N[6]C[6]){1|H<1>,2|C<3>}	H(CC[6a]2N[6])	105.9930	0.000	1	105.9930	0.000	1	106.0310	0.003	2	106.0310	0.003	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	3:4:2:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6]-3:C-4:N[6]-2:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6a]Rh)(CC[6a]2H)(N[6]C[6])	H(CC[6a]2N[6])	C(N[6]C[6]N[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6a]Rh)(CC[6a]2H)(N[6]C[6]){1|H<1>,2|C<3>}	H(CC[6a]2N[6])	106.0690	0.000	1	106.0690	0.000	1	106.0310	0.003	2	106.0310	0.003	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	4:3:4:	4:	C[5a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	H(CC[5a]N[6]C)	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	H(CC[5a]N[6]C)	106.1560	0.000	1	106.1560	0.000	1	106.1560	0.000	1	105.7678	1.280	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H){1|O<2>,2|O<1>}	H(CC[6a]2N[6])	103.4810	0.000	1	103.4810	0.000	1	105.6058	2.025	4	105.7678	1.280	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H){2|C<4>,3|H<1>}	H(CC[6a]2N[6])	106.1860	0.000	1	106.1860	0.000	1	105.6058	2.025	4	105.7678	1.280	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	H(CC[6a]2N[6])	106.3780	0.177	2	106.3780	0.031	2	105.6058	2.025	4	105.7678	1.280	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[6]C)	106.0280	0.000	1	106.0280	0.000	1	106.0280	0.000	1	105.7678	1.280	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]O)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]O)2(CC[6a]CH){3|C<3>}	H(CC[6a]N[6]C)	105.7140	0.148	2	105.7140	0.022	2	106.4038	1.006	6	106.3531	0.738	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(CC[6a]N[6]C)	106.9890	0.000	1	106.9890	0.000	1	106.4038	1.006	6	106.3531	0.738	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]C)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]C)2(CC[6a]CH){1|C<3>,2|H<1>}	H(CC[6a]N[6]C)	105.1410	0.000	1	105.1410	0.000	1	106.4038	1.006	6	106.3531	0.738	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]H)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]C)	107.4325	0.069	2	107.4325	0.005	2	106.4038	1.006	6	106.3531	0.738	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	106.5000	0.000	1	106.0105	0.479	2	106.0105	0.479	2	106.3531	0.738	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){3|H<1>,4|C<4>}	H(CC[6a]N[6]C)	105.5210	0.000	1	106.0105	0.479	2	106.0105	0.479	2	106.3531	0.738	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	106.7340	0.000	1	106.7340	0.000	1	106.7340	0.000	1	106.3531	0.738	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	106.7435	0.620	2	106.9873	0.371	3	106.8015	0.385	4	106.8349	0.357	8	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	107.4750	0.000	1	106.9873	0.371	3	106.8015	0.385	4	106.8349	0.357	8	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	H(CC[6a]N[6]C)	106.2440	0.000	1	106.2440	0.000	1	106.8015	0.385	4	106.8349	0.357	8	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]HO)(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>}	H(CC[6a]N[6]C)	106.2935	0.078	2	106.2935	0.006	2	106.2935	0.006	2	106.8349	0.357	8	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:B[6]-4:C-4:	C-4:	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]B[6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH){2|C<3>}	H(CC[6a]N[6]C)	107.4430	0.075	2	107.4430	0.006	2	107.4430	0.006	2	106.8349	0.357	8	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]N[6a])(N[6]C[5,6]C[6])(CH3)(H)	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>}	H(CC[6a]N[6]C)	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	107.0110	0.000	1	107.0110	0.000	1	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	106.8710	0.000	1	106.8710	0.000	1	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	H(CC[6a]N[6]C)	106.1990	0.000	1	106.1990	0.000	1	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	H(CC[6a]N[6]C)	106.5520	0.000	1	106.5520	0.000	1	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[6]C)	105.0805	4.235	2	106.0700	7.307	4	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){2|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.0595	0.265	2	106.0700	7.307	4	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]N[6]C)	107.0450	0.000	1	106.9587	0.098	3	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,3|H<1>}	H(CC[6a]N[6]C)	107.2190	0.000	1	106.9587	0.098	3	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|C<3>,2|H<1>}	H(CC[6a]N[6]C)	106.6120	0.000	1	106.9587	0.098	3	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	H(CC[6a]N[6]C)	106.9180	0.000	1	106.9180	0.000	1	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH){1|C<4>,2|H<1>}	H(CC[6a]N[6]C)	107.1640	0.215	3	107.1640	0.046	3	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	106.4860	0.000	1	106.9533	0.169	3	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	107.2620	0.000	1	106.9533	0.169	3	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	H(CC[6a]N[6]C)	107.1120	0.000	1	106.9533	0.169	3	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH){3|C<4>}	H(CC[6a]N[6]C)	107.3400	0.000	1	107.3400	0.000	1	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	H(CC[6a]N[6]C)	107.5470	0.187	2	107.5470	0.035	2	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	H(CC[6a]N[6]C)	107.1300	0.139	2	107.1300	0.019	2	106.8588	1.241	23	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH)	H(CC[6]N[6]C)	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	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>}	H(CC[6]N[6]C)	106.2960	0.000	1	106.2960	0.000	1	106.2960	0.000	1	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[5,6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	105.7786	0.141	8	105.7786	0.020	8	105.7786	0.020	8	106.6005	1.105	33	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	H(CC[6a]N[6]C)	107.2580	0.000	1	107.2580	0.000	1	107.1505	0.023	2	107.1505	0.023	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH){4|C<3>}	H(CC[6a]N[6]C)	107.0430	0.000	1	107.0430	0.000	1	107.1505	0.023	2	107.1505	0.023	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:3:4:1:	5:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C-4:	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]Ga[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	107.1220	0.796	2	107.1220	0.634	2	107.1220	0.634	2	107.1220	0.634	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	2:3:4:	4:	N[6]-3:C-4:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CClHH)(H)2	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CClHH)(H)2	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]CH)	109.2535	0.368	2	109.2535	0.136	2	109.2535	0.136	2	109.2535	0.136	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:2:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-2:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC3)(H)2	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>}	H(CN[6]CH)	108.3525	0.012	2	108.3525	0.000	2	108.3525	0.000	2	108.8114	2.226	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:2:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6,6a]N[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]N[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|H<1>,4|C<3>}	H(CN[6]CH)	109.2530	0.182	4	109.2530	0.033	4	109.2530	0.033	4	108.8114	2.226	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:2:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)(H)2	N[6](C[6]C[6]H)(N[6]C[6])(CCHH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CH3)(H)2	N[6](C[6]C[6]H)(N[6]C[6])(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	108.1300	3.913	2	108.1300	15.313	2	108.5287	8.133	3	108.8114	2.226	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:2:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)(H)2	N[6](C[6]C[6]Pd)(N[6]C[6])(CCHH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CH3)(H)2	N[6](C[6]C[6]Pd)(N[6]C[6])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CN[6]CH)	109.3260	0.000	1	109.3260	0.000	1	108.5287	8.133	3	108.8114	2.226	9	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[5,6]2)(CCHH)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]2)(CCHH)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	H(CN[6]CH)	109.4470	0.000	1	109.4470	0.000	1	108.9030	0.255	22	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[5,6]2)(CF3)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]2)(CF3)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	H(CN[6]CH)	108.2425	1.179	2	108.2425	1.389	2	108.9030	0.255	22	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[5,6]2)(CH3)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]2)(CH3)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH){2|Se<2>,1|C<3>,2|S<2>}	H(CN[6]CH)	108.9348	0.399	11	108.9439	0.153	19	108.9030	0.255	22	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[5,6]2)(CH3)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]2)(CH3)(H)2	N[6](C[5,6]C[5,6]N[5])2(CCHH){4|Se<2>,1|C<3>}	H(CN[6]CH)	108.9564	0.408	8	108.9439	0.153	19	108.9030	0.255	22	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6,6])(CCHH)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6,6])(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>}	H(CN[6]CH)	109.1515	0.015	2	109.1515	0.000	2	109.1515	0.000	2	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[6a]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>}	H(CN[6]CH)	109.4350	0.028	2	109.4350	0.001	2	109.0552	0.381	6	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.8653	0.700	4	108.8653	0.490	4	109.0552	0.381	6	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[5a,6]C[5,6])(CCHH)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CCHH)	H(CN[6]CH)	C(N[6]C[5a,6]C[5,6])(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>}	H(CN[6]CH)	108.9620	0.011	2	108.9620	0.000	2	108.9620	0.000	2	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]2)(CC[6a]HH)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(CN[6]CH)	108.9130	0.021	2	108.9130	0.000	2	109.2704	0.067	10	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[6,6]2)(CHHN)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]2)(CHHN)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(CN[6]CH)	109.3895	0.011	2	109.3895	0.000	2	109.2704	0.067	10	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6,6]-3:C-4:	C-4:	C(N[6]C[6,6]2)(CHHO)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]2)(CHHO)(H)2	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(CN[6]CH)	109.3498	0.237	6	109.3498	0.056	6	109.2704	0.067	10	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CH3)(H)2	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CH3)(H)2	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]S)(CCHH){1|C<3>,3|C<4>}	H(CN[6]CH)	109.3440	0.037	2	109.3440	0.001	2	109.3440	0.001	2	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CC3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC3)(H)2	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>}	H(CN[6]CH)	107.3084	0.940	8	107.3084	0.884	8	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	109.6340	0.030	2	109.3603	0.101	4	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	H(CN[6]CH)	109.0865	0.030	2	109.3603	0.101	4	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(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>}	H(CN[6]CH)	108.9025	0.006	2	108.9943	0.013	6	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(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>}	H(CN[6]CH)	109.1385	0.037	2	108.9943	0.013	6	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(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>}	H(CN[6]CH)	108.9420	0.044	2	108.9943	0.013	6	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(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>}	H(CN[6]CH)	109.1008	0.381	4	109.1008	0.145	4	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(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>}	H(CN[6]CH)	109.3653	0.149	6	109.1195	0.119	17	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(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>}	H(CN[6]CH)	108.5680	0.010	2	109.1195	0.119	17	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(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>}	H(CN[6]CH)	109.0782	0.318	9	109.1195	0.119	17	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(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>}	H(CN[6]CH)	110.1805	4.837	2	108.8061	0.713	80	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.9640	0.427	7	108.8061	0.713	80	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.8607	0.496	37	108.8061	0.713	80	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.6180	0.152	10	108.8061	0.713	80	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CN[6]CH)	108.6396	0.876	24	108.8061	0.713	80	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHH)(H)2	N[6](C[6,6a]C[6,6a]N[6a])2(CCHH){1|S<2>,4|C<3>}	H(CN[6]CH)	108.8175	0.011	2	108.8175	0.000	2	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHN)(H)2	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>}	H(CN[6]CH)	108.2250	0.018	2	108.2250	0.000	2	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	109.8713	0.180	11	109.8181	0.068	19	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	H(CN[6]CH)	109.7450	0.345	8	109.8181	0.068	19	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC[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>}	H(CN[6]CH)	109.7260	0.006	2	109.7260	0.000	2	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	H(CN[6]CH)	108.6443	0.031	3	108.6443	0.001	3	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC[6a]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>}	H(CN[6]CH)	109.4415	0.015	2	109.4415	0.000	2	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	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>}	H(CN[6]CH)	109.4370	0.023	2	109.4370	0.001	2	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	H(CN[6]CH)	109.3045	0.006	2	108.7804	0.420	66	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|O<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.8628	0.097	4	108.7804	0.420	66	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|C<4>,4|C<3>}	H(CN[6]CH)	109.2980	0.033	2	108.7804	0.420	66	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.7336	0.688	56	108.7804	0.420	66	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<4>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.8835	0.032	2	108.7804	0.420	66	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CHHO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CHHO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.3599	0.751	9	108.3599	0.563	9	108.8686	0.640	226	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,4|C<3>}	H(CN[6]CH)	109.1500	0.028	2	109.1500	0.001	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(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>}	H(CN[6]CH)	109.0037	0.027	4	109.0037	0.001	4	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(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>}	H(CN[6]CH)	109.0460	0.047	2	109.0460	0.002	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(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>}	H(CN[6]CH)	108.7960	0.025	3	108.7960	0.001	3	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(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>}	H(CN[6]CH)	109.1080	0.000	1	109.1080	0.000	1	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(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>}	H(CN[6]CH)	108.8300	0.038	2	108.8300	0.001	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	109.2793	0.114	4	109.2793	0.013	4	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	108.9724	1.202	21	108.9724	1.444	21	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	106.8100	1.737	2	108.3447	1.161	9	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	108.7831	0.188	7	108.3447	1.161	9	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(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>}	H(CN[6]CH)	105.6370	0.018	2	105.6370	0.000	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	109.1245	0.046	2	109.1245	0.002	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHO)(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>}	H(CN[6]CH)	109.5460	0.078	2	109.5460	0.006	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC[6a]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>}	H(CN[6]CH)	109.4115	0.033	2	109.2578	0.032	4	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC[6a]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>}	H(CN[6]CH)	109.1040	0.011	2	109.2578	0.032	4	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CFHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CFHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|F<1>,4|C<3>}	H(CN[6]CH)	109.1430	0.071	2	109.1430	0.005	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|N<2>,4|C<3>}	H(CN[6]CH)	109.5830	0.000	1	109.5830	0.000	1	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(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>}	H(CN[6]CH)	108.5290	0.021	2	108.5290	0.000	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	H(CN[6]CH)	109.1219	0.148	7	109.1219	0.022	7	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.4430	0.020	2	108.9195	1.342	56	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	H(CN[6]CH)	109.0772	0.260	39	108.9195	1.342	56	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	108.4399	2.175	15	108.9195	1.342	56	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(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>}	H(CN[6]CH)	108.9170	0.010	2	108.9170	0.000	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	H(CN[6]CH)	109.1842	0.190	14	109.1842	0.036	14	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CHHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CHHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(CN[6]CH)	109.2990	0.000	1	109.2990	0.000	1	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CHHO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CHHO)(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>}	H(CN[6]CH)	108.7115	0.009	2	108.7115	0.000	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CHHO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CHHO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(CN[6]CH)	109.0225	0.005	2	109.0225	0.000	2	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CN[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CN[5]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>}	H(CN[6]CH)	108.5397	1.113	4	108.5397	1.240	4	108.9103	0.974	151	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CBrCH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CBrCH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.1300	0.059	2	109.1300	0.004	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CBrHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CBrHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	109.8420	0.031	2	109.8420	0.001	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	108.4380	0.016	2	108.4380	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.4793	0.151	3	108.4793	0.023	3	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	H(CN[6]CH)	108.6110	0.006	2	108.6110	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.5380	0.038	2	108.5380	0.001	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCCO)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCCO)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.5530	0.000	1	108.5530	0.000	1	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCFF)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCFF)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	109.4209	0.167	12	109.4209	0.028	12	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	H(CN[6]CH)	108.1257	0.366	4	108.1257	0.134	4	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	H(CN[6]CH)	109.0792	0.297	5	109.0792	0.088	5	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	109.4025	0.021	2	109.4025	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	109.0138	0.331	4	109.0138	0.109	4	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	H(CN[6]CH)	109.6030	0.006	2	109.6030	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	109.3216	0.472	30	109.3216	0.223	30	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	108.9999	0.613	149	108.9999	0.376	149	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	109.4251	0.082	11	109.4251	0.007	11	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	108.7265	0.009	2	109.2159	0.103	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.3790	0.126	6	109.2159	0.103	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]C)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.1122	0.129	24	109.1122	0.017	24	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CN[6]CH)	109.2315	0.015	2	109.3138	0.055	10	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,2|C<3>}	H(CN[6]CH)	108.9560	0.008	2	109.3138	0.055	10	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.4605	0.139	6	109.3138	0.055	10	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|C<3>,1|H<1>}	H(CN[6]CH)	109.4670	0.021	2	109.4670	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|H<1>}	H(CN[6]CH)	109.1875	0.012	2	109.1875	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|C<3>,1|H<1>}	H(CN[6]CH)	109.3190	0.106	4	109.3190	0.011	4	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Br<1>,1|C<3>}	H(CN[6]CH)	106.1870	1.836	2	108.7627	1.705	19	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>}	H(CN[6]CH)	106.8080	0.602	2	108.7627	1.705	19	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	H(CN[6]CH)	109.4195	0.013	2	108.7627	1.705	19	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.4323	0.131	11	108.7627	1.705	19	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.9540	0.023	2	108.7627	1.705	19	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CN[6]CH)	109.0567	0.038	4	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<4>,1|H<1>}	H(CN[6]CH)	106.5025	2.541	2	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	109.5817	0.072	4	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(CN[6]CH)	109.1316	0.223	5	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|C<4>}	H(CN[6]CH)	109.8190	0.041	2	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.9785	1.232	320	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|N<3>}	H(CN[6]CH)	108.6575	0.129	2	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(CN[6]CH)	108.9607	0.067	3	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	109.1752	0.362	13	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]H)2(CCHH){3|C<3>}	H(CN[6]CH)	109.1685	0.042	2	108.9854	1.429	357	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	109.2308	0.404	8	109.0485	0.275	10	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	108.3195	0.018	2	109.0485	0.275	10	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<4>,1|N<3>,3|H<1>}	H(CN[6]CH)	108.9735	0.037	2	109.0692	0.011	5	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.1330	0.081	3	109.0692	0.011	5	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	109.0925	0.011	2	109.0925	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	H(CN[6]CH)	109.3118	0.244	9	109.3118	0.059	9	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(CN[6]CH)	109.2966	0.151	10	109.2966	0.023	10	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,4|C<3>}	H(CN[6]CH)	109.2880	0.068	4	109.2880	0.005	4	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHN)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHN)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.8195	0.036	2	108.8195	0.001	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	109.7820	0.267	3	109.7820	0.071	3	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>}	H(CN[6]CH)	109.1442	0.089	8	109.1442	0.008	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	109.2432	0.051	5	109.2432	0.003	5	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	108.6708	0.844	5	108.6708	0.713	5	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]C)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.2030	0.031	2	109.2030	0.001	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	107.5970	1.526	3	107.5970	2.329	3	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|H<1>}	H(CN[6]CH)	109.3050	0.011	2	109.3050	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCuCH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCuCH)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	110.0510	0.034	2	110.0510	0.001	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	H(CN[6]CH)	109.1945	0.150	6	109.1945	0.022	6	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH){1|C<3>,2|C<4>}	H(CN[6]CH)	109.1875	0.015	2	109.1875	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	107.5421	2.109	12	107.5421	4.450	12	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6a]S)(C[6]N[6,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6a]S)(C[6]N[6,6]O)(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	109.4085	0.070	2	109.4085	0.005	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	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>}	H(CN[6]CH)	109.5625	0.011	2	108.9476	0.565	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(CN[6]CH)	108.7427	0.768	6	108.9476	0.565	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	109.2695	0.043	2	109.2695	0.002	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CN[6]CH)	109.3128	0.125	6	109.1740	0.077	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|I<1>}	H(CN[6]CH)	108.7575	0.009	2	109.1740	0.077	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]CH)	103.6740	2.500	2	107.9301	7.808	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.3488	0.142	6	107.9301	7.808	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]C)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.2382	0.187	34	109.2382	0.035	34	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(CN[6]CH)	109.3720	0.027	2	109.3720	0.001	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH){2|C<3>}	H(CN[6]CH)	113.5210	2.459	2	113.5210	6.048	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CN[6]CH)	109.8885	0.039	2	109.2425	0.531	100	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	109.5930	0.000	1	109.2425	0.531	100	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.2181	0.739	95	109.2425	0.531	100	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(CN[6]CH)	109.5800	0.011	2	109.2425	0.531	100	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	109.3610	0.012	3	109.3610	0.000	3	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	109.2001	0.180	17	109.2003	0.027	20	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	109.2017	0.040	3	109.2003	0.027	20	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	H(CN[6]CH)	109.2866	0.183	8	109.2866	0.033	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	108.6322	1.261	10	108.6322	1.591	10	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]CH)	108.6410	0.016	2	108.6410	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.7177	0.226	4	109.7177	0.051	4	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	H(CN[6]CH)	109.4150	0.197	4	109.1969	0.089	9	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]O)2(CCHH){1|C<3>,2|C<2>}	H(CN[6]CH)	109.0224	0.253	5	109.1969	0.089	9	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	108.9672	0.464	10	108.9672	0.215	10	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(CN[6]CH)	108.5770	0.011	2	108.5770	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]C)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	108.4970	0.020	2	108.4970	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.5304	0.318	15	109.5304	0.101	15	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH){1|N<3>,2|C<4>}	H(CN[6]CH)	108.8500	0.007	2	108.8500	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){4|C<3>}	H(CN[6]CH)	109.1305	0.179	4	109.1305	0.032	4	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	109.3845	0.057	2	109.3845	0.003	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]C)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.3630	0.000	1	109.3630	0.000	1	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<2>,2|H<1>}	H(CN[6]CH)	109.3020	0.011	2	109.3020	0.000	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.3864	0.402	11	109.3864	0.161	11	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	108.7330	0.025	2	108.7330	0.001	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(CN[6]CH)	109.4955	0.293	4	109.4955	0.086	4	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	109.7200	0.090	4	109.7200	0.008	4	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	H(CN[6]CH)	109.1536	0.295	8	109.1536	0.087	8	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	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>}	H(CN[6]CH)	109.6867	0.336	72	109.6920	0.111	74	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	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>}	H(CN[6]CH)	109.8820	0.017	2	109.6920	0.111	74	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	N[6](C[6]C[6,6]O)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	N[6](C[6]C[6,6]O)2(CCHH){5|C<4>}	H(CN[6]CH)	109.0298	0.066	6	109.0298	0.004	6	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(COPP)(H)2	N[6](C[6]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COPP)(H)2	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(CN[6]CH)	109.3350	0.065	2	109.3350	0.004	2	109.1091	0.863	1124	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	H(CN[6]CH)	109.0847	0.213	3	109.0847	0.045	3	109.0847	0.045	3	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-3:P[6]-3:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]Cl)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]Cl)2(CCHH){1|P<3>,2|C<4>}	H(CN[6]CH)	108.9807	0.108	6	108.9807	0.012	6	109.0375	0.067	12	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-3:P[6]-3:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	H(CN[6]CH)	109.0736	0.395	5	109.0943	0.127	6	109.0375	0.067	12	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-3:P[6]-3:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH){1|P<3>,2|C<4>}	H(CN[6]CH)	109.1980	0.000	1	109.0943	0.127	6	109.0375	0.067	12	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH)	H(CC[5]N[6]H)	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH){1|S<2>,2|C<3>,3|H<1>}	H(CC[5]N[6]H)	108.8785	0.011	2	108.8785	0.000	2	108.8785	0.000	2	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)	H(CC[6]N[6]H)	C(N[6]C[6,6a]2)(C[6]C[6]2H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH){1|S<2>,2|H<1>,4|C<3>}	H(CC[6]N[6]H)	108.8335	0.013	2	108.8335	0.000	2	108.8335	0.000	2	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	108.6901	0.652	8	108.6901	0.425	8	109.0461	0.282	32	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Rh)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Rh)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Rh)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	109.5125	0.038	4	109.5125	0.001	4	109.0461	0.282	32	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ru)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ru)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	109.0057	0.450	12	109.0057	0.202	12	109.0461	0.282	32	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	109.2788	0.473	4	109.2788	0.224	4	109.0461	0.282	32	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Os)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Os)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Os)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Os)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	109.1797	0.471	4	109.1797	0.222	4	109.0461	0.282	32	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(PO3)(H)2	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PO3)(H)2	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP){1|C<3>,1|H<1>}	H(CN[6]HP)	109.6088	2.565	4	109.6088	6.578	4	109.6088	6.578	4	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(SiCCF)(H)2	N[6](C[6]C[6]O)2(CSiHH)	H(CN[6]SiH)	C(N[6]C[6]2)(SiCCF)(H)2	N[6](C[6]C[6]O)2(CSiHH){1|C<4>,4|H<1>}	H(CN[6]SiH)	108.0655	0.026	2	108.0655	0.001	2	108.7253	0.233	7	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(SiCCO)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH)	H(CN[6]SiH)	C(N[6]C[6]2)(SiCCO)(H)2	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH){1|C<3>,2|H<1>}	H(CN[6]SiH)	109.2140	0.034	2	109.2140	0.001	2	108.7253	0.233	7	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(SiCCO)(H)2	N[6](C[6]C[6]O)2(CSiHH)	H(CN[6]SiH)	C(N[6]C[6]2)(SiCCO)(H)2	N[6](C[6]C[6]O)2(CSiHH){1|C<4>,4|H<1>}	H(CN[6]SiH)	108.7740	0.000	1	108.7740	0.000	1	108.7253	0.233	7	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(SiCFF)(H)2	N[6](C[6]C[6]O)2(CSiHH)	H(CN[6]SiH)	C(N[6]C[6]2)(SiCFF)(H)2	N[6](C[6]C[6]O)2(CSiHH){1|C<4>,4|H<1>}	H(CN[6]SiH)	108.8720	0.004	2	108.8720	0.000	2	108.7253	0.233	7	109.0518	0.819	1607	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]B[6,6])(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>}	H(CN[6]CH)	108.6440	0.169	15	108.6440	0.028	15	108.7110	0.022	57	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]B[6,6])(CH3)(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>}	H(CN[6]CH)	108.7349	0.133	42	108.7349	0.018	42	108.7110	0.022	57	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCCH)(H)2	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>}	H(CN[6]CH)	109.4245	0.087	2	109.4245	0.008	2	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(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>}	H(CN[6]CH)	109.1330	0.016	2	108.9419	0.044	7	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	108.8654	0.201	5	108.9419	0.044	7	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	108.0655	0.028	2	108.0655	0.001	2	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC[6a]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>}	H(CN[6]CH)	108.3895	0.006	2	108.3895	0.000	2	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.0495	0.006	2	109.0495	0.000	2	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.6377	0.229	3	108.6377	0.053	3	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.0075	0.277	4	109.0707	0.056	6	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.1970	0.042	2	109.0707	0.056	6	108.8662	0.154	24	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(CCHH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CCHH)(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>}	H(CN[6]CH)	106.5790	1.991	2	106.5790	3.965	2	108.7955	3.724	22	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	H(CN[6]CH)	110.6637	1.817	4	110.6637	3.300	4	108.7955	3.724	22	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.4368	0.163	4	108.6054	2.665	16	108.7955	3.724	22	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.6790	0.010	2	108.6054	2.665	16	108.7955	3.724	22	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.2200	0.014	2	108.6054	2.665	16	108.7955	3.724	22	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(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>}	H(CN[6]CH)	108.0178	2.191	8	108.6054	2.665	16	108.7955	3.724	22	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:Si[6]-4:C-4:	C-4:	C(N[6]C[6,6a]Si[6])(CC3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(Si[6]Si[5]C[6]Cl)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]Si[6])(CC3)(H)2	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>}	H(CN[6]CH)	108.0065	0.012	2	108.0065	0.000	2	108.0065	0.000	2	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:B[6,6]-4:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	108.7470	0.162	4	108.7470	0.026	4	108.7470	0.026	4	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C-4:	C(N[6]B[6]C[6])(CCHH)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CCHH)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	H(CN[6]CH)	109.0800	0.011	2	109.0800	0.000	2	109.0646	0.150	17	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C-4:	C(N[6]B[6]C[6])(CHHN)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CHHN)(H)2	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	H(CN[6]CH)	108.8630	0.265	11	108.8630	0.070	11	109.0646	0.150	17	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	109.6730	0.033	2	109.6730	0.001	2	109.0646	0.150	17	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:B[6]-4:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	109.5500	0.191	2	109.5500	0.036	2	109.0646	0.150	17	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	H(CN[6]CH)	109.1220	0.000	1	109.1220	0.000	1	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	109.0620	0.000	1	109.0620	0.000	1	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	106.4290	1.508	2	106.4290	2.273	2	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	H(CN[6]CH)	108.2225	0.015	2	108.2225	0.000	2	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	H(CN[6]CH)	109.7045	0.012	2	109.7045	0.000	2	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	109.0500	0.034	2	109.0500	0.001	2	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]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>}	H(CN[6]CH)	107.3010	0.392	2	107.3010	0.153	2	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]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>}	H(CN[6]CH)	109.3660	0.021	2	109.3660	0.000	2	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	H(CN[6]CH)	108.9390	0.000	1	108.9390	0.000	1	108.4846	1.424	15	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:Ga[6]-4:C-4:	C-4:	C(N[6]Ga[6]C[6])(CCHH)(H)2	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH)	H(CN[6]CH)	C(N[6]Ga[6]C[6])(CCHH)(H)2	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH){2|C<3>}	H(CN[6]CH)	109.3060	0.016	2	109.3060	0.000	2	109.3060	0.000	2	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:B[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	H(CC[6]N[6]H)	C(N[6]C[6,6a]B[6,6])(C[6]C[6]2H)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	H(CC[6]N[6]H)	108.2730	1.860	2	108.2730	3.458	2	108.2730	3.458	2	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	107.5785	0.054	2	107.5785	0.003	2	107.6571	0.640	10	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	107.9810	0.789	6	107.9810	0.622	6	107.6571	0.640	10	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	106.7640	0.643	2	106.7640	0.414	2	107.6571	0.640	10	108.6898	0.853	155	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	3:6:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:Si[3x6]-6:C-4:	C-4:	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]Si[3x6])(CH3)(H)2	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>}	H(CN[6]CH)	108.9162	0.436	6	108.9162	0.190	6	108.9162	0.190	6	108.9162	0.190	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CCHH)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CCHH)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	H(CN[6]CH)	108.0555	2.268	4	108.0555	5.143	4	108.7090	2.550	16	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CCHO)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CCHO)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	H(CN[6]CH)	109.2455	0.054	2	109.2455	0.003	2	108.7090	2.550	16	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CHHO)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH)	H(CN[6]CH)	C(N[6]B[6]C[6])(CHHO)(H)2	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]C)(CCHH){4|C<3>}	H(CN[6]CH)	106.5435	2.007	2	106.5435	4.030	2	108.7090	2.550	16	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	109.8948	0.623	4	109.8948	0.388	4	108.7090	2.550	16	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	108.9913	0.069	4	108.9913	0.005	4	108.7090	2.550	16	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[3x6]C[6])(CH3)(H)2	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CH3)(H)2	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	H(CN[6]CH)	108.8050	0.098	2	108.8050	0.010	2	108.8050	0.010	2	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[4,5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,5,6]C[6])(CH3)(H)2	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[4,5,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.8290	0.006	2	108.8290	0.000	2	108.8290	0.000	2	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,5,6]C[6])(CH3)(H)2	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[5,5,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.9840	0.021	2	108.9840	0.000	2	108.9840	0.000	2	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[5a]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>}	H(CN[6]CH)	109.4445	0.026	2	109.4445	0.001	2	108.8380	0.139	14	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.5403	0.414	4	108.5788	0.107	6	108.8380	0.139	14	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.6560	0.027	2	108.5788	0.107	6	108.8380	0.139	14	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.9458	0.169	4	108.9458	0.029	4	108.8380	0.139	14	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CH3)(H)2	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH){1|N<2>,4|C<3>}	H(CN[6]CH)	108.7935	0.032	2	108.7935	0.001	2	108.8380	0.139	14	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(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>}	H(CN[6]CH)	108.5790	0.055	2	108.8705	0.089	11	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(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>}	H(CN[6]CH)	108.9231	0.335	7	108.8705	0.089	11	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	108.9775	0.035	2	108.8705	0.089	11	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	109.1720	0.000	1	109.1720	0.000	1	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	109.1113	0.048	3	109.1113	0.002	3	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CC[6a]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CC[6a]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>}	H(CN[6]CH)	108.9770	0.000	1	108.9770	0.000	1	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CH3)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CH3)(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>}	H(CN[6]CH)	109.2860	0.016	2	109.2860	0.000	2	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHHO)(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>}	H(CN[6]CH)	108.4240	0.720	2	108.8490	0.414	4	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHHO)(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>}	H(CN[6]CH)	109.2740	0.025	2	108.8490	0.414	4	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(CHOO)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHOO)(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>}	H(CN[6]CH)	109.2660	0.020	2	109.2660	0.000	2	108.9816	0.121	24	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ir)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ir)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	108.0778	0.114	4	108.0778	0.013	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCCH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]CH)	108.7085	0.032	2	108.7085	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	H(CN[6]CH)	108.8020	0.040	2	108.8020	0.002	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	108.8620	0.042	2	108.8620	0.002	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	109.0327	0.127	4	109.0327	0.016	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]CH)	108.7350	0.034	2	108.7350	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	109.0643	0.126	3	109.0643	0.016	3	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(CN[6]CH)	109.0280	0.035	3	109.0280	0.001	3	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	109.0955	0.033	2	109.0450	0.004	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	H(CN[6]CH)	108.9945	0.006	2	109.0450	0.004	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH){1|C<4>,1|N<3>,1|O<1>}	H(CN[6]CH)	108.8920	0.030	2	108.8920	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH){3|C<3>}	H(CN[6]CH)	108.8510	0.035	2	108.8510	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	107.4715	0.026	2	107.4715	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.2690	0.007	2	108.2690	0.000	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.9100	0.045	2	109.2696	0.123	5	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]CH)	109.5093	0.171	3	109.2696	0.123	5	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.3212	2.323	4	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	H(CN[6]CH)	108.5694	0.871	14	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	H(CN[6]CH)	109.0221	0.812	59	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.9140	0.030	2	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.9010	0.000	1	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	109.6730	0.030	2	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.7725	0.039	2	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.5510	0.052	4	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	109.0510	0.062	4	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.2930	0.034	2	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	109.0270	0.011	2	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.7100	0.014	2	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.7830	0.022	4	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	109.1700	0.006	2	108.8954	0.688	104	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	109.0030	0.027	2	109.0030	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){1|C<4>,2|H<1>}	H(CN[6]CH)	108.6395	0.075	4	108.6395	0.006	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	108.8600	0.073	4	108.8600	0.005	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.1220	1.406	2	108.1220	1.976	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]ZrO)(C[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]ZrO)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(CN[6]CH)	109.2721	0.248	8	109.2721	0.062	8	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	109.1590	0.035	2	109.1590	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.7893	0.109	4	108.7893	0.012	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	106.4620	0.030	2	106.4620	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5a]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>}	H(CN[6]CH)	109.8630	0.065	3	109.8630	0.004	3	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]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>}	H(CN[6]CH)	109.0705	0.016	2	109.0693	0.082	6	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]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>}	H(CN[6]CH)	109.0687	0.369	4	109.0693	0.082	6	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]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>}	H(CN[6]CH)	109.1822	0.165	18	109.1822	0.027	18	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	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>}	H(CN[6]CH)	108.7370	0.016	2	108.7370	0.000	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]CH)	109.0230	0.028	2	109.0230	0.001	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	109.0807	0.168	4	109.0807	0.028	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	108.7703	1.814	6	108.7703	3.289	6	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	109.0460	0.026	3	109.0460	0.001	3	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(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>}	H(CN[6]CH)	109.3077	0.024	4	109.3077	0.001	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,3|C<3>,3|H<1>}	H(CN[6]CH)	108.9970	0.010	2	108.9970	0.000	2	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>}	H(CN[6]CH)	107.9390	1.751	2	108.4464	2.135	8	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	106.8270	1.226	2	108.4464	2.135	8	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	H(CN[6]CH)	109.3560	0.006	2	108.4464	2.135	8	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|S<3>,4|H<1>}	H(CN[6]CH)	109.6635	0.043	2	108.4464	2.135	8	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(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>}	H(CN[6]CH)	108.9030	0.010	2	109.1143	0.134	3	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]CH)	109.5370	0.000	1	109.1143	0.134	3	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	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>}	H(CN[6]CH)	107.2500	1.158	2	107.8458	1.026	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	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>}	H(CN[6]CH)	108.4415	0.564	2	107.8458	1.026	4	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	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>}	H(CN[6]CH)	108.8467	0.111	3	108.8467	0.012	3	108.8758	0.608	239	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	In[6]-4:C[6]-3:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	108.9487	0.177	3	108.9487	0.031	3	108.9487	0.031	3	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]P[5,6]C[6])(CH3)(H)2	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]P[5,6]C[6])(CH3)(H)2	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH){2|C<3>,2|C<4>}	H(CN[6]CH)	108.8820	0.007	2	108.8820	0.000	2	108.8820	0.000	2	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]P[6])(CClHH)(H)2	N[6](P[6]C[6a]O[6]Pd)(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]P[6])(CClHH)(H)2	N[6](P[6]C[6a]O[6]Pd)(C[6]C[6,6a]O)(CCHH){4|C<3>}	H(CN[6]CH)	109.5385	0.174	4	109.5385	0.030	4	109.5539	0.091	8	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]P[6])(CClHH)(H)2	N[6](P[6]C[6a]O[6]Ru)(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]P[6])(CClHH)(H)2	N[6](P[6]C[6a]O[6]Ru)(C[6]C[6,6a]O)(CCHH){4|C<3>}	H(CN[6]CH)	109.2015	0.019	2	109.2015	0.000	2	109.5539	0.091	8	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]P[6])(CClHH)(H)2	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]P[6])(CClHH)(H)2	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH){4|C<3>}	H(CN[6]CH)	109.9370	0.055	2	109.9370	0.003	2	109.5539	0.091	8	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:P[6]-3:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	H(CN[6]CH)	109.0135	0.069	2	109.0135	0.005	2	109.0135	0.005	2	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	108.8930	0.309	4	108.8930	0.096	4	108.8930	0.096	4	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:Si-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(SiCCF)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH)	H(CN[6]SiH)	C(N[6]C[6]2)(SiCCF)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]SiH)	108.7825	0.006	2	108.7825	0.000	2	108.7825	0.000	2	108.8919	0.605	320	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CCHH)(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>}	H(CN[6]CH)	109.3750	0.000	1	109.3750	0.000	1	108.7813	0.265	3	108.3758	0.638	15	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(CC[5a]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[5a]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>}	H(CN[6]CH)	108.4845	0.033	2	108.4845	0.001	2	108.7813	0.265	3	108.3758	0.638	15	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(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>}	H(CN[6]CH)	107.7910	0.000	1	107.7910	0.000	1	107.4842	0.526	5	108.3758	0.638	15	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(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>}	H(CN[6]CH)	108.1120	0.027	2	108.1120	0.001	2	107.4842	0.526	5	108.3758	0.638	15	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	106.7030	0.035	2	106.7030	0.001	2	107.4842	0.526	5	108.3758	0.638	15	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]OS)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	H(CN[6]CH)	109.0190	0.016	2	109.0190	0.000	2	108.8389	0.054	7	108.3758	0.638	15	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)2(CCHH){1|P<3>,2|C<4>}	H(CN[6]CH)	108.9115	0.059	2	108.7668	0.058	5	108.8389	0.054	7	108.3758	0.638	15	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)2(CCHH){1|P<4>,2|C<4>}	H(CN[6]CH)	108.6703	0.283	3	108.7668	0.058	5	108.8389	0.054	7	108.3758	0.638	15	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	5:3:4:	4:	N[6]-3:C-4:H-1:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C-4:	C(N[6]Ga[6,6]C[6])(CCHH)(H)2	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]Ga[6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	109.2250	0.016	3	109.2250	0.000	3	109.7238	0.467	5	109.5273	0.424	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	5:3:4:	4:	N[6]-3:C-4:H-1:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C-4:	C(N[6]Ga[6,6]C[6])(CHHN)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH)	H(CN[6]CH)	C(N[6]Ga[6,6]C[6])(CHHN)(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>}	H(CN[6]CH)	110.4720	0.031	2	110.4720	0.001	2	109.7238	0.467	5	109.5273	0.424	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	5:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[5,6,6]-5:P[6]-3:C-4:	C-4:	C(N[6]P[5,6,6]P[6])(CH3)(H)2	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]P[5,6,6]P[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.0360	0.006	2	109.0360	0.000	2	109.0360	0.000	2	109.5273	0.424	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:1:1:	6:3:4:	4:	N[6]-3:C-4:H-1:H-1:	Ga[3x6]-6:C[6]-3:C-4:	C-4:	C(N[6]Ga[3x6]C[6])(CHHO)(H)2	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]Ga[3x6]C[6])(CHHO)(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>}	H(CN[6]CH)	109.1307	0.378	6	109.1307	0.143	6	109.1307	0.143	6	109.1307	0.143	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:2:1:	3:3:4:	4:	N[6]-3:C-4:O-2:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CCHH)(OC)(H)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)	H(CN[6]CO)	C(N[6]C[6]N[6])(CCHH)(OC)(H)	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>}	H(CN[6]CO)	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CN[6]CC)	106.3540	0.000	1	106.3540	0.000	1	106.4781	0.778	43	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6,6a]O)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	H(CN[6]CC)	106.9188	0.393	16	106.9188	0.154	16	106.4781	0.778	43	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]H)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(CN[6]CC)	107.5810	0.000	1	106.9702	0.798	4	106.4781	0.778	43	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]H)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	H(CN[6]CC)	106.7667	0.974	3	106.9702	0.798	4	106.4781	0.778	43	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[5]HH)(COO)(H)	N[6](C[6]C[6,6a]O)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[5]HH)(COO)(H)	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	H(CN[6]CC)	106.1860	0.956	17	106.1860	0.913	17	106.4781	0.778	43	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	N[6](C[6]C[6,6a]O)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	H(CN[6]CC)	106.0490	0.294	2	106.0490	0.087	2	106.4781	0.778	43	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	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>}	H(CN[6]CC)	103.8230	0.000	1	103.8230	0.000	1	106.4781	0.778	43	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)(COO)(H)	N[6](C[6]C[6,6a]O)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)(COO)(H)	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	H(CN[6]CC)	106.2695	0.476	2	106.2695	0.226	2	106.4781	0.778	43	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	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>}	H(CN[6]CC)	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	106.5333	0.894	44	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	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>}	H(CN[6]CC)	107.7045	0.524	2	107.7045	0.275	2	107.0713	0.652	4	107.0713	0.652	4	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	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>}	H(CN[6]CC)	106.2420	0.000	1	106.2420	0.000	1	107.0713	0.652	4	107.0713	0.652	4	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)(CNO)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)(CNO)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH){1|N<3>,2|C<4>,2|H<1>}	H(CN[6]CC)	106.6340	0.000	1	106.6340	0.000	1	107.0713	0.652	4	107.0713	0.652	4	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:C-4:C-3:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH)	H(CN[6]CC)	C(N[6]B[6]C[6])(CC[5a]HH)(COO)(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH){6|C<3>}	H(CN[6]CC)	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	106.9180	4.628	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	H(CN[6]CC)	107.4220	0.000	1	107.4220	0.000	1	106.7987	5.434	6	106.9180	4.628	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH){1|H<1>,5|C<3>}	H(CN[6]CC)	102.0990	0.000	1	102.0990	0.000	1	106.7987	5.434	6	106.9180	4.628	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	H(CN[6]CC)	108.0960	0.477	2	107.8947	0.235	3	106.7987	5.434	6	106.9180	4.628	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){2|C<3>,2|H<1>}	H(CN[6]CC)	107.4920	0.000	1	107.8947	0.235	3	106.7987	5.434	6	106.9180	4.628	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	H(CN[6]CC)	107.5870	0.000	1	107.5870	0.000	1	106.7987	5.434	6	106.9180	4.628	7	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-2:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	107.2738	0.155	5	107.3037	0.025	6	107.3037	0.025	6	107.5867	1.559	50	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-2:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|H<1>,4|C<3>}	H(CN[6]CC)	107.4530	0.000	1	107.3037	0.025	6	107.3037	0.025	6	107.5867	1.559	50	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6,6a]Ir)(N[6]C[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6,6a]Ir)(N[6]C[6])(CCCH){1|H<1>,2|C<3>}	H(CN[6]CC)	108.2300	0.000	1	108.2300	0.000	1	107.6253	1.761	44	107.5867	1.559	50	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6,6a]Rh)(N[6]C[6])(CCCH){1|H<1>,2|C<3>}	H(CN[6]CC)	108.3970	0.000	1	108.3970	0.000	1	107.6253	1.761	44	107.5867	1.559	50	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]CC)	107.5933	1.329	26	107.5925	1.822	42	107.6253	1.761	44	107.5867	1.559	50	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]CC)	107.9966	0.379	9	107.5925	1.822	42	107.6253	1.761	44	107.5867	1.559	50	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<2>,2|C<4>}	H(CN[6]CC)	104.2045	1.644	2	107.5925	1.822	42	107.6253	1.761	44	107.5867	1.559	50	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<3>,2|C<3>}	H(CN[6]CC)	108.2164	0.278	5	107.5925	1.822	42	107.6253	1.761	44	107.5867	1.559	50	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[6]-3:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]N[6]H)(C[6]N[6]N)(CCCH)	H(CN[6]CC)	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]N[6]H)(C[6]N[6]N)(CCCH){3|C<4>}	H(CN[6]CC)	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:As[6]-3:C-4:	C-4:	C(N[6]C[6,6a]As[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(As[6]N[6]Cl)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]As[6])(CH3)2(H)	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>}	H(CN[6]CC)	107.3840	0.175	2	107.3840	0.031	2	107.3840	0.031	2	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CCHH)2(H)	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>}	H(CN[6]CC)	106.0125	0.590	2	106.0125	0.349	2	106.7641	0.936	15	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	107.6715	0.034	4	107.6715	0.001	4	106.7641	0.936	15	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCCH){1|H<1>,4|C<3>}	H(CN[6]CC)	105.2650	0.214	2	105.2650	0.046	2	106.7641	0.936	15	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH){1|H<1>,4|C<3>}	H(CN[6]CC)	106.2560	0.000	1	106.2560	0.000	1	106.7641	0.936	15	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	107.3003	0.234	4	107.3128	0.042	5	106.7641	0.936	15	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	107.3630	0.000	1	107.3128	0.042	5	106.7641	0.936	15	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Rh)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	105.4010	0.000	1	105.4010	0.000	1	106.7641	0.936	15	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)2(H)	N[6](C[6]C[6,6a]O)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)2(H)	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	H(CN[6]CC)	104.0639	2.873	10	104.0639	8.256	10	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(CHHO)(H)	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH){3|C<4>}	H(CN[6]CC)	106.1340	0.000	1	106.1340	0.000	1	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CClHH)(CCCH)(H)	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CClHH)(CCCH)(H)	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH){1|C<4>,2|H<1>}	H(CN[6]CC)	106.0580	0.000	1	106.0580	0.000	1	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	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>}	H(CN[6]CC)	107.5215	0.144	2	107.5215	0.021	2	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]O)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	H(CN[6]CC)	99.2343	5.307	6	99.2343	28.162	6	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CN[6]CC)	107.6195	0.279	2	107.6195	0.078	2	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CN[6]CC)	107.5820	0.147	2	107.5820	0.022	2	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]H)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	H(CN[6]CC)	106.5899	2.482	8	106.5899	6.162	8	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	H(CN[6]CC)	107.0680	0.000	1	107.0680	0.000	1	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH){1|B<4>,2|C<4>}	H(CN[6]CC)	107.5760	0.000	1	107.5760	0.000	1	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH){1|B<4>,1|C<4>}	H(CN[6]CC)	107.5235	0.074	2	107.5235	0.006	2	104.8915	15.778	36	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]CC)	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]CC)	107.3740	0.000	1	107.3740	0.000	1	107.3877	0.024	8	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]CC)	107.3728	0.198	5	107.3728	0.039	5	107.3877	0.024	8	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](N[6]C[6]Pt)(C[6]N[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](N[6]C[6]Pt)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]CC)	107.4320	0.083	2	107.4320	0.007	2	107.3877	0.024	8	105.8249	10.360	63	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	106.6540	1.071	3	106.6540	1.148	3	106.6540	1.148	3	105.2896	21.247	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH){1|H<1>,3|C<3>}	H(CN[6]CC)	107.5170	0.000	1	107.5170	0.000	1	107.8525	0.225	2	105.2896	21.247	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH){1|C<4>,3|C<3>}	H(CN[6]CC)	108.1880	0.000	1	108.1880	0.000	1	107.8525	0.225	2	105.2896	21.247	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(CH3)2(H)	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH)	H(CN[6]CC)	C(N[6]C[6]S[6])(CH3)2(H)	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH){1|H<1>,2|C<3>}	H(CN[6]CC)	96.0704	0.000	1	96.0704	0.000	1	96.0704	0.000	1	105.2896	21.247	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-2:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH){2|C<4>,2|H<1>}	H(CN[6]CC)	107.1180	0.218	2	107.1180	0.047	2	107.1180	0.047	2	107.1180	0.047	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[3x6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[3x6]C[6])(CH3)2(H)	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]B[3x6]C[6])(CH3)2(H)	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH){1|B<4>,2|H<1>,5|C<4>}	H(CN[6]CC)	107.2040	0.085	2	107.2040	0.007	2	107.0842	0.053	6	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[3x6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[3x6]C[6])(CH3)2(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]B[3x6]C[6])(CH3)2(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){1|C<3>,2|H<1>,5|C<4>}	H(CN[6]CC)	107.1770	0.307	2	107.0242	0.071	4	107.0842	0.053	6	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[3x6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[3x6]C[6])(CH3)2(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]B[3x6]C[6])(CH3)2(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){2|H<1>,6|C<4>}	H(CN[6]CC)	106.8715	0.163	2	107.0242	0.071	4	107.0842	0.053	6	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[5,6]C[6])(CH3)2(H)	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]B[5,6]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	106.9730	0.000	1	106.9730	0.000	1	106.9730	0.000	1	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH){1|C<4>,4|C<3>}	H(CN[6]CC)	107.1535	0.140	4	107.1535	0.019	4	107.0970	0.187	8	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){1|C<4>,5|C<3>}	H(CN[6]CC)	107.5480	0.000	1	107.4025	0.042	2	107.0970	0.187	8	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){2|C<4>,5|C<3>}	H(CN[6]CC)	107.2570	0.000	1	107.4025	0.042	2	107.0970	0.187	8	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH)	H(CN[6]CC)	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH){2|C<4>,5|C<3>}	H(CN[6]CC)	106.1040	0.000	1	106.1040	0.000	1	107.0970	0.187	8	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	B[6]-4:C[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]B[6]C[6])(CH3)2(H)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CC)	107.2530	0.000	1	107.2530	0.000	1	107.0970	0.187	8	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[4,5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,5,6]C[6])(CH3)2(H)	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[4,5,6]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	106.6130	0.000	1	106.6130	0.000	1	106.6130	0.000	1	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:B[6]-3:C-4:	C-4:	C(N[6]B[6]C[6])(CH3)2(H)	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]B[6]C[6])(CH3)2(H)	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH){1|C<3>,2|C<4>}	H(CN[6]CC)	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	H(CN[6]CC)	106.7850	1.891	13	106.9488	3.273	15	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<3>,2|H<1>}	H(CN[6]CC)	108.0135	0.556	2	106.9488	3.273	15	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH){2|C<4>,2|H<1>}	H(CN[6]CC)	107.1342	0.209	6	107.1342	0.044	6	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCCH){2|C<4>,2|H<1>}	H(CN[6]CC)	107.1255	0.005	2	107.1255	0.000	2	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,3|C<3>,3|H<1>}	H(CN[6]CC)	106.8660	0.000	1	106.8660	0.000	1	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(CN[6]CC)	106.0480	0.000	1	106.5210	0.447	2	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|Ta<12>,1|C<4>,1|N<3>}	H(CN[6]CC)	106.9940	0.000	1	106.5210	0.447	2	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH){1|B<3>,2|C<4>}	H(CN[6]CC)	107.5790	0.000	1	107.5790	0.000	1	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	H(CN[6]CC)	107.6410	0.027	2	107.6410	0.001	2	107.0364	1.724	29	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	Ga[6]-4:C[6]-3:C-4:	C-4:	C(N[6]Ga[6]C[6])(CH3)2(H)	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]Ga[6]C[6])(CH3)2(H)	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	H(CN[6]CC)	108.5560	0.000	1	108.5560	0.000	1	108.5955	0.003	2	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	Ga[6]-4:C[6]-3:C-4:	C-4:	C(N[6]Ga[6]C[6])(CH3)2(H)	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]Ga[6]C[6])(CH3)2(H)	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	H(CN[6]CC)	108.6350	0.000	1	108.6350	0.000	1	108.5955	0.003	2	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	Ge[6]-4:C[6]-3:C-4:	C-4:	C(N[6]Ge[6]C[6])(CH3)2(H)	N[6](Ge[6]N[6]ClCu)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]Ge[6]C[6])(CH3)2(H)	N[6](Ge[6]N[6]ClCu)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CC)	105.2900	2.019	2	105.2900	4.078	2	106.8385	1.886	10	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	Ge[6]-4:C[6]-3:C-4:	C-4:	C(N[6]Ge[6]C[6])(CH3)2(H)	N[6](Ge[6]N[6]CuC)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]Ge[6]C[6])(CH3)2(H)	N[6](Ge[6]N[6]CuC)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CC)	106.9470	1.003	6	106.9470	1.006	6	106.8385	1.886	10	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	Ge[6]-4:C[6]-3:C-4:	C-4:	C(N[6]Ge[6]C[6])(CH3)2(H)	N[6](Ge[6]N[6]CuH)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]Ge[6]C[6])(CH3)2(H)	N[6](Ge[6]N[6]CuH)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CC)	108.0615	0.066	2	108.0615	0.004	2	106.8385	1.886	10	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CH3)2(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]C[6]S[6])(CH3)2(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH){1|O<2>,2|C<3>}	H(CN[6]CC)	105.8460	0.000	1	105.8460	0.000	1	105.8460	0.000	1	107.0505	1.277	59	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CH3)2(H)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	H(CN[6]CC)	C(N[6]P[6,6]C[6])(CH3)2(H)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	H(CN[6]CC)	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	5:3:4:	4:	N[6]-3:C-4:C-4:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C-4:	C(N[6]Ga[6,6]C[6])(CH3)2(H)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]Ga[6,6]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	3:4:4:1:	6:3:4:	4:	N[6]-3:C-4:C-4:H-1:	Si[6,6]-6:C[6]-3:C-4:	C-4:	C(N[6]Si[6,6]C[6])(CH3)2(H)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]Si[6,6]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	104.7590	0.000	1	104.7590	0.000	1	104.7590	0.000	1	104.7590	0.000	1	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a,6]N[5a])(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a,6]N[5a])(CC[5]HH){1|C<4>,1|N<2>,4|C<3>}	H(CC[5]N[6]H)	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	109.0929	0.903	22	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]N[6]H)	109.6540	0.000	1	109.6540	0.000	1	109.0066	1.105	17	109.0929	0.903	22	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]N[6]H)	109.7029	0.419	8	109.7029	0.176	8	109.0066	1.105	17	109.0929	0.903	22	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH){1|H<1>,2|C<3>}	H(CC[5]N[6]H)	109.3500	0.007	2	109.3500	0.000	2	109.0066	1.105	17	109.0929	0.903	22	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]N[6]H)	108.5525	0.054	2	108.5525	0.003	2	109.0066	1.105	17	109.0929	0.903	22	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]N[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]N[6]H)	108.2090	0.004	2	108.2090	0.000	2	109.0066	1.105	17	109.0929	0.903	22	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	3:3:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(CC[5]N[6]H)	106.8060	0.742	2	106.8060	0.551	2	109.0066	1.105	17	109.0929	0.903	22	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]O[6]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(CC[6]N[6]H)	109.5065	0.377	4	109.5065	0.142	4	109.5065	0.142	4	109.0929	0.903	22	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	4:3:3:	4:	N[3x6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(N[3x6]C[6,6]3)(N[6]C[6]2)(H)2	N[6](CN[3x6]HH)(C[6]C[6]H)2	H(CN[3x6]N[6]H)	C(N[3x6]C[6,6]3)(N[6]C[6]2)(H)2	N[6](CN[3x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(CN[3x6]N[6]H)	108.8377	0.079	8	108.8377	0.006	8	108.8377	0.006	8	108.8377	0.006	8	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	H(CC[6]N[6]H)	109.6595	0.040	2	109.6595	0.002	2	109.6595	0.002	2	109.6595	0.002	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	H(CC[3]N[6]H)	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	H(CC[3]N[6]H)	108.3535	0.021	2	108.3535	0.000	2	108.3535	0.000	2	108.3535	0.000	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:3:1:	3:3:4:	4:	C[5]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	N[6](C[6]C[6]H)2(CC[5]CH)	H(CC[5]N[6]C)	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	N[6](C[6]C[6]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(CC[5]N[6]C)	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	106.1730	0.000	1	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:N[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](CC[6a]C[5]H)(C[6]C[6]H)2	H(CC[6a]C[5]N[6])	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](CC[6a]C[5]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(CC[6a]C[5]N[6])	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	5:3:1:1:	4:3:3:	4:	C[3x3,3x5,12x6]-5:N[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2	H(CC[3x3,3x5,12x6]N[6]H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]2)(H)2	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(CC[3x3,3x5,12x6]N[6]H)	106.8813	2.579	6	106.8813	6.650	6	106.8813	6.650	6	106.8813	6.650	6	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP2	C	N[6]	H	6:3:1:1:	4:3:3:	4:	B[3x3,3x5,12x6]-6:N[6]-3:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C-4:	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(N[6]C[6]2)(H)2	N[6](CB[3x3,3x5,12x6]HH)(C[6]C[6]H)2	H(CB[3x3,3x5,12x6]N[6]H)	C(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(N[6]C[6]2)(H)2	N[6](CB[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(CB[3x3,3x5,12x6]N[6]H)	109.2480	0.023	2	109.2480	0.001	2	109.2480	0.001	2	109.2480	0.001	2	109.1690	1.212	9673	109.1699	1.208	9731
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:3:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	H(CN[6,6]HH)	109.9662	1.362	6	109.9662	1.854	6	109.9662	1.854	6	109.9662	1.854	6	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C-4:	C(N[6,6]C[3x6]2)(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]2)(H)3	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CN[6,6]HH)	109.4560	0.011	2	109.4560	0.000	2	109.4560	0.000	2	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>}	H(CN[6,6]HH)	109.4642	0.033	6	109.4642	0.001	6	109.4669	0.001	15	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(CN[6,6]HH)	109.4688	0.027	6	109.4688	0.001	6	109.4669	0.001	15	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(CN[6,6]HH)	109.4683	0.016	3	109.4683	0.000	3	109.4669	0.001	15	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[3x6]C[6,6])(H)3	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(CN[6,6]HH)	109.4720	0.010	2	109.4720	0.000	2	109.4720	0.000	2	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(CN[6,6]HH)	109.4515	0.041	8	109.4515	0.002	8	109.4699	0.002	35	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(CN[6,6]HH)	109.4350	0.021	2	109.4350	0.000	2	109.4699	0.002	35	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3){4|C<3>,4|H<1>}	H(CN[6,6]HH)	109.4930	0.024	2	109.4930	0.001	2	109.4699	0.002	35	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3){4|C<3>}	H(CN[6,6]HH)	109.4673	0.024	3	109.4673	0.001	3	109.4699	0.002	35	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	H(CN[6,6]HH)	109.4815	0.037	2	109.4815	0.001	2	109.4699	0.002	35	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6]2H)2(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]2)(H)3	N[6,6](C[6,6]C[6]2H)2(CH3){2|C<4>,8|H<1>}	H(CN[6,6]HH)	109.4786	0.050	18	109.4786	0.003	18	109.4699	0.002	35	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:P[3,6,6]-4:C-4:	C-4:	C(N[6,6]P[3,6,6]C[6,6])(H)3	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3)	H(CN[6,6]HH)	C(N[6,6]P[3,6,6]C[6,6])(H)3	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(CN[6,6]HH)	109.4660	0.037	2	109.4660	0.001	2	109.4660	0.001	2	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:P[3x6]-4:C-4:	C-4:	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	H(CN[6,6]HH)	109.4645	0.037	13	109.4645	0.001	13	109.4665	0.001	17	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:1:1:1:	4:4:4:	4:	N[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:P[3x6]-4:C-4:	C-4:	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3)	H(CN[6,6]HH)	C(N[6,6]C[6,6]P[3x6])(H)3	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3){1|B<4>,4|C<4>}	H(CN[6,6]HH)	109.4730	0.029	4	109.4730	0.001	4	109.4665	0.001	17	109.4681	0.001	73	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[4,3x6]-4:C[3x6]-4:C-4:	C-4:	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[4,3x6]C[3x6])(C[6a]C[6a]2)(H)2	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	H(CN[6,6]C[6a]H)	108.7563	0.071	3	108.7563	0.005	3	108.7563	0.005	3	108.7222	1.244	20	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[3x6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(CN[6,6]C[6a]H)	108.8505	0.016	2	108.8505	0.000	2	108.8505	0.000	2	108.7222	1.244	20	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(CN[6,6]C[6a]H)	107.8145	2.467	4	107.8145	6.086	4	108.6983	1.685	15	108.7222	1.244	20	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|C<2>,2|H<1>,4|C<3>}	H(CN[6,6]C[6a]H)	109.4325	0.009	2	109.4325	0.000	2	108.6983	1.685	15	108.7222	1.244	20	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	H(CN[6,6]C[6a]H)	109.0635	0.013	2	109.0635	0.000	2	108.6983	1.685	15	108.7222	1.244	20	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	H(CN[6,6]C[6a]H)	108.8392	0.422	4	108.8392	0.178	4	108.6983	1.685	15	108.7222	1.244	20	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH){1|C<3>,2|C<4>,7|H<1>}	H(CN[6,6]C[6a]H)	109.0455	0.006	2	109.0455	0.000	2	108.6983	1.685	15	108.7222	1.244	20	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	H(CN[6,6]C[6a]H)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)2	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[6,6]C[6a]H)	108.7760	0.000	1	108.7760	0.000	1	108.6983	1.685	15	108.7222	1.244	20	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH)	H(CN[6,6]C[6a]C)	C(N[6,6]C[6,6]2)(C[6a]C[6a]2)(CH3)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH){2|C<4>,4|C<3>}	H(CN[6,6]C[6a]C)	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	107.5605	0.067	2	107.5605	0.005	2	107.5605	0.005	2	107.5605	0.005	2	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C-4:	C(N[6,6]C[3x6]2)(CH3)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]2)(CH3)(H)2	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>}	H(CN[6,6]CH)	109.0555	0.028	2	109.0555	0.001	2	109.0555	0.001	2	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	108.0810	0.061	2	108.0810	0.004	2	107.9101	0.092	25	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	107.8993	0.023	3	107.8953	0.097	23	107.9101	0.092	25	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	108.7195	0.013	2	107.8953	0.097	23	107.9101	0.092	25	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	107.6784	0.129	8	107.8953	0.097	23	107.9101	0.092	25	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	107.7330	0.007	2	107.8953	0.097	23	107.9101	0.092	25	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	107.9320	0.093	2	107.8953	0.097	23	107.9101	0.092	25	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	107.6975	0.043	2	107.8953	0.097	23	107.9101	0.092	25	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[3x6]C[6,6])(CC[5a]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[3x6]C[6,6])(CC[5a]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>}	H(CN[6,6]CH)	108.0755	0.030	4	107.8953	0.097	23	107.9101	0.092	25	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(CHHN)(H)2	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH)	H(CN[6,6]CH)	C(N[6,6]C[6,6]2)(CHHN)(H)2	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH){8|C<3>}	H(CN[6,6]CH)	109.2430	0.044	2	109.2430	0.002	2	109.2430	0.002	2	108.0810	0.269	29	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:2:1:	4:4:4:	4:	N[6,6]-3:C-4:C-2:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	H(CN[6,6]CC)	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	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>}	H(CN[6,6]CC)	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	107.6310	0.000	1	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6,6]	H	3:4:3:1:	4:4:4:	4:	N[6,6]-3:C-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C-4:	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	H(CN[6,6]CC)	C(N[6,6]C[6,6]2)(CH3)(CCI)(H)	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>}	H(CN[6,6]CC)	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	109.0168	0.720	133	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	2:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-2:C[6]-2:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6])2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6])2(CH3){1|P<4>}	H(CN[6]HH)	109.4803	0.094	3	109.4803	0.009	3	109.4803	0.009	3	109.4803	0.009	3	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:O[6]-2:C-4:	C-4:	C(N[6]C[6,6a]O[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]O[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.5063	0.016	3	109.5063	0.000	3	109.5063	0.000	3	110.5283	1.639	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4287	0.027	3	109.4287	0.001	3	109.4287	0.001	3	110.5283	1.639	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C-4:	C(N[6]C[6]O[6])(H)3	N[6](C[6]N[6]O)(O[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]O[6])(H)3	N[6](C[6]N[6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>}	H(CN[6]HH)	111.5892	0.950	6	111.5892	0.903	6	111.5892	0.903	6	110.5283	1.639	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	B[5a,6]-3:N[5a,6]-3:C-4:	C-4:	C(N[6]B[5a,6]N[5a,6])(H)3	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3)	H(CN[6]HH)	C(N[6]B[5a,6]N[5a,6])(H)3	N[6](B[5a,6]N[5a,6]N[5a])(N[5a,6]B[5a,6]B[5a])(CH3){1|B<3>,1|C<3>,1|C<4>,4|N<3>}	H(CN[6]HH)	109.4550	0.031	3	109.4550	0.001	3	109.4550	0.001	3	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[5a,6]N[6])(H)3	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]N[6])(H)3	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	H(CN[6]HH)	109.3050	3.299	3	109.3050	10.882	3	109.3050	10.882	3	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.4527	0.018	3	109.4527	0.000	3	109.5580	0.676	48	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|C<4>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.5126	0.894	11	109.5715	0.773	42	109.5580	0.676	48	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.4791	0.105	20	109.5715	0.773	42	109.5580	0.676	48	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){1|Si<4>,2|H<1>,4|C<3>}	H(CN[6]HH)	109.4900	0.019	3	109.5715	0.773	42	109.5580	0.676	48	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	H(CN[6]HH)	109.9142	1.786	8	109.5715	0.773	42	109.5580	0.676	48	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]2)(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3){1|S<2>,6|C<3>}	H(CN[6]HH)	109.4737	0.032	3	109.4737	0.001	3	109.5580	0.676	48	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	H(CN[6]HH)	109.4847	0.022	3	109.4847	0.000	3	109.4765	0.001	11	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<4>,2|N<3>}	H(CN[6]HH)	109.4618	0.021	5	109.4618	0.000	5	109.4765	0.001	11	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]N)2(CH3){1|C<4>,2|N<3>}	H(CN[6]HH)	109.4927	0.026	3	109.4927	0.001	3	109.4765	0.001	11	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:3:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6]-3:N[6]-3:C-4:	C-4:	C(N[6]N[6]P[6])(H)3	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3)	H(CN[6]HH)	C(N[6]N[6]P[6])(H)3	N[6](P[6]C[6a]N[6])(N[6]P[6]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	H(CN[6]HH)	109.4748	0.030	5	109.4748	0.001	5	109.4748	0.001	5	109.5240	0.780	70	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]C[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(CN[6]HH)	109.4600	0.051	3	109.4600	0.003	3	109.4600	0.003	3	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:S[6]-4:C-4:	C-4:	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(CN[6]HH)	109.4853	0.033	11	109.4856	0.001	14	109.4809	0.001	18	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:S[6]-4:C-4:	C-4:	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|N<2>,1|N<3>,3|C<3>}	H(CN[6]HH)	109.4870	0.033	3	109.4856	0.001	14	109.4809	0.001	18	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:S[6]-4:C-4:	C-4:	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|H<1>,2|C<3>,2|N<2>}	H(CN[6]HH)	109.4623	0.020	3	109.4642	0.000	4	109.4809	0.001	18	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5a,6]-3:S[6]-4:C-4:	C-4:	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	H(CN[6]HH)	C(N[6]C[5a,6]S[6])(H)3	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){2|N<2>,3|C<3>}	H(CN[6]HH)	109.4700	0.000	1	109.4642	0.000	4	109.4809	0.001	18	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	H(CN[6]HH)	109.4795	0.018	2	109.4795	0.000	2	109.4716	0.000	5	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4663	0.023	3	109.4663	0.001	3	109.4716	0.000	5	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]C[5]N[6])(CH3){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	H(CN[6]HH)	109.4705	0.014	4	109.4705	0.000	4	109.4728	0.000	17	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[5,6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]2N[6])(CH3){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	H(CN[6]HH)	109.4735	0.016	13	109.4735	0.000	13	109.4728	0.000	17	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6,6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(CN[6]HH)	109.4610	0.030	2	109.4610	0.001	2	109.4610	0.001	2	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.5103	0.012	3	109.5103	0.000	3	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3){3|C<3>,3|H<1>}	H(CN[6]HH)	109.4850	0.019	3	109.4850	0.000	3	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.8173	0.621	9	109.8173	0.386	9	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4700	0.007	2	109.4700	0.000	2	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4457	0.045	3	109.4721	0.001	19	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4804	0.032	14	109.4721	0.001	19	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4535	0.026	2	109.4721	0.001	19	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4797	0.050	3	109.4797	0.003	3	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.5053	0.040	3	109.5053	0.002	3	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	111.3245	1.761	6	111.3245	3.100	6	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(CN[6]HH)	111.2653	1.782	3	111.2653	3.177	3	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(CN[6]HH)	109.4300	0.045	3	109.4300	0.002	3	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	H(CN[6]HH)	109.4808	0.026	5	109.4808	0.001	5	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	H(CN[6]HH)	109.4733	0.010	9	109.4733	0.000	9	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]C[6])(H)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	H(CN[6]HH)	109.4813	0.012	6	109.4813	0.000	6	109.7404	0.698	74	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4977	0.069	3	109.4977	0.005	3	109.4800	0.002	13	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	H(CN[6]HH)	109.4720	0.006	2	109.4720	0.000	2	109.4800	0.002	13	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	H(CN[6]HH)	109.4788	0.053	6	109.4788	0.003	6	109.4800	0.002	13	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6,6a]S[6])(H)3	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3){4|C<3>}	H(CN[6]HH)	109.4650	0.020	2	109.4650	0.000	2	109.4800	0.002	13	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4983	0.041	3	109.4983	0.002	3	109.4983	0.002	3	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]N[6,6]C[6])(H)3	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]N[6,6]C[6])(H)3	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CN[6]HH)	108.6390	1.646	7	108.6390	2.710	7	108.6390	2.710	7	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	N[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]N[6,6a]C[6])(H)3	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)	H(CN[6]HH)	C(N[6]N[6,6a]C[6])(H)3	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3){1|H<1>,3|C<3>}	H(CN[6]HH)	109.4777	0.012	3	109.4777	0.000	3	109.4777	0.000	3	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	3:4:4:	4:	N[6]-3:H-1:H-1:H-1:	O[5,6]-3:C[6]-4:C-4:	C-4:	C(N[6]O[5,6]C[6])(H)3	N[6](O[5,6]In[5,5,6,6]Ga[5])(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]O[5,6]C[6])(H)3	N[6](O[5,6]In[5,5,6,6]Ga[5])(C[6]C[6]HH)(CH3){1|O<2>,1|O<3>,2|H<1>,2|N<4>,3|C<4>}	H(CN[6]HH)	109.4876	0.030	5	109.4876	0.001	5	109.4876	0.001	5	109.5682	0.511	150	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:N[6]-2:C-4:	C-4:	C(N[6]C[6,6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6,6]N[6])(H)3	N[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])(CH3){1|C<3>,2|C<4>,4|H<1>}	H(CN[6]HH)	109.4770	0.018	3	109.4770	0.000	3	109.4770	0.000	3	109.4603	0.001	28	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4443	0.051	3	109.4443	0.003	3	109.4443	0.003	3	109.4603	0.001	28	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C-4:	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3)	H(CN[6]HH)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CN[6]HH)	109.4637	0.034	6	109.4637	0.001	6	109.4602	0.001	22	109.4603	0.001	28	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C-4:	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6]CH)(O[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6]CH)(O[6]C[6])(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CN[6]HH)	109.4610	0.032	3	109.4610	0.001	3	109.4602	0.001	22	109.4603	0.001	28	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C-4:	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3){1|N<4>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4527	0.026	3	109.4527	0.001	3	109.4602	0.001	22	109.4603	0.001	28	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C-4:	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(CN[6]HH)	109.4566	0.020	5	109.4566	0.000	5	109.4602	0.001	22	109.4603	0.001	28	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:2:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C-4:	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3)	H(CN[6]HH)	C(N[6]C[6]O[6])(H)3	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HH)	109.4636	0.032	5	109.4636	0.001	5	109.4602	0.001	22	109.4603	0.001	28	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(H)3	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[5,6,6]C[6])(H)3	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(CN[6]HH)	110.6400	4.499	6	110.6400	20.240	6	110.6400	20.240	6	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	H(CN[6]HH)	109.4580	0.049	3	109.4580	0.002	3	109.4580	0.002	3	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4765	0.015	2	109.4765	0.000	2	109.4675	0.001	17	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4313	0.022	3	109.4683	0.001	12	109.4675	0.001	17	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.4807	0.023	9	109.4683	0.001	12	109.4675	0.001	17	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4583	0.041	3	109.4583	0.002	3	109.4675	0.001	17	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(CN[6]HH)	109.4596	0.017	5	109.4596	0.000	5	109.4721	0.001	13	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4730	0.020	2	109.4730	0.000	2	109.4721	0.001	13	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6]N[6])(H)3	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3){1|N<3>,3|H<1>}	H(CN[6]HH)	109.4822	0.038	6	109.4822	0.001	6	109.4721	0.001	13	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	H(CN[6]HH)	108.5538	4.851	9	108.5538	23.535	9	109.3551	3.523	144	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	H(CN[6]HH)	109.5626	2.172	34	109.4017	2.577	121	109.3551	3.523	144	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	H(CN[6]HH)	109.3388	1.331	87	109.4017	2.577	121	109.3551	3.523	144	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	H(CN[6]HH)	109.4681	0.043	8	109.4681	0.002	8	109.3551	3.523	144	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	H(CN[6]HH)	109.4390	0.018	3	109.4390	0.000	3	109.3551	3.523	144	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:3:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]Se[6]C)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]Se[6]C)(CH3){2|C<3>}	H(CN[6]HH)	109.4943	0.039	3	109.4943	0.002	3	109.3551	3.523	144	109.4177	3.377	183	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[5,6,6]C[6])(H)3	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3){1|H<1>,7|C<4>}	H(CN[6]HH)	109.4472	0.050	4	109.4472	0.003	4	109.4472	0.003	4	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(CN[6]HH)	109.4750	0.042	7	109.4750	0.002	7	109.4797	0.002	19	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	H(CN[6]HH)	109.4630	0.014	3	109.4630	0.000	3	109.4797	0.002	19	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[5,6]C[6])(H)3	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4890	0.051	9	109.4890	0.003	9	109.4797	0.002	19	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CN[6]HH)	109.1361	1.265	16	109.4380	1.111	73	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(CN[6]HH)	109.3322	2.268	6	109.4380	1.111	73	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CN[6]HH)	109.5452	0.750	51	109.4380	1.111	73	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CN[6]HH)	109.4637	0.014	3	109.4637	0.000	3	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[6]HH)	109.4920	0.030	4	109.4920	0.001	4	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(CN[6]HH)	109.4490	0.035	11	109.4490	0.001	11	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[6]HH)	110.2555	1.628	6	110.2555	2.650	6	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(CN[6]HH)	109.4787	0.080	6	108.9420	3.884	20	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(CN[6]HH)	108.7120	2.342	14	108.9420	3.884	20	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>}	H(CN[6]HH)	109.4518	0.037	6	109.4518	0.001	6	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3){3|H<1>,4|C<3>}	H(CN[6]HH)	109.4680	0.020	2	109.4680	0.000	2	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(CN[6]HH)	110.6107	2.484	3	109.8248	2.853	29	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(CN[6]HH)	111.0393	2.896	3	109.8248	2.853	29	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(CN[6]HH)	109.4699	0.025	11	109.8248	2.853	29	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CN[6]HH)	109.8052	2.914	6	109.8248	2.853	29	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|H<1>,4|C<3>}	H(CN[6]HH)	109.4947	0.042	6	109.8248	2.853	29	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(CN[6]HH)	109.4737	0.077	6	109.4737	0.006	6	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	H(CN[6]HH)	109.4660	0.029	3	109.4660	0.001	3	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3){1|C<4>,5|C<3>}	H(CN[6]HH)	109.4973	0.034	3	109.4973	0.001	3	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[6]HH)	109.4882	0.028	5	109.4882	0.001	5	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(CN[6]HH)	109.4710	0.050	8	109.4710	0.002	8	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6,6]C[6])(H)3	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	H(CN[6]HH)	109.4950	0.011	2	109.4950	0.000	2	109.4815	1.444	181	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4428	0.033	6	109.4428	0.001	6	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[6]HH)	109.8136	1.441	12	109.8136	2.078	12	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	H(CN[6]HH)	109.4600	0.019	3	109.4600	0.000	3	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3){1|Fe<10>,2|C<3>,2|C<4>}	H(CN[6]HH)	109.4970	0.017	3	109.4970	0.000	3	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CN[6]HH)	109.4807	0.032	3	109.4676	0.001	84	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[6]HH)	109.4995	0.016	2	109.4676	0.001	84	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4639	0.032	9	109.4676	0.001	84	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4673	0.034	67	109.4676	0.001	84	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(CN[6]HH)	109.4517	0.009	3	109.4676	0.001	84	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4500	0.016	4	109.4653	0.001	7	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,4|C<4>}	H(CN[6]HH)	109.4857	0.049	3	109.4653	0.001	7	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(CN[6]HH)	109.4825	0.008	2	109.4825	0.000	2	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,2|H<1>}	H(CN[6]HH)	109.4728	0.049	5	109.4728	0.002	5	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3){2|H<1>,3|C<4>}	H(CN[6]HH)	109.4543	0.037	4	109.4543	0.001	4	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	108.5827	2.149	3	108.5827	4.618	3	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	H(CN[6]HH)	109.5685	1.120	19	109.9702	1.616	40	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,7|C<3>}	H(CN[6]HH)	110.4220	1.109	6	109.9702	1.616	40	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	H(CN[6]HH)	111.5245	1.634	6	109.9702	1.616	40	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|N<2>,3|C<4>,4|C<3>}	H(CN[6]HH)	109.4806	0.016	9	109.9702	1.616	40	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(CN[6]HH)	109.4803	0.023	3	109.4625	0.001	8	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CN[6]HH)	109.4487	0.027	3	109.4625	0.001	8	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>}	H(CN[6]HH)	109.4565	0.037	2	109.4625	0.001	8	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,1|H<1>,3|C<4>}	H(CN[6]HH)	109.4817	0.022	3	109.7029	0.869	52	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	110.2403	1.586	9	109.7029	0.869	52	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,2|N<3>}	H(CN[6]HH)	109.4864	0.029	5	109.7029	0.869	52	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4887	0.029	3	109.7029	0.869	52	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,3|C<4>}	H(CN[6]HH)	109.5796	1.117	9	109.7029	0.869	52	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	H(CN[6]HH)	109.7004	0.816	17	109.7029	0.869	52	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){2|H<1>,3|C<4>}	H(CN[6]HH)	109.5003	0.039	3	109.7029	0.869	52	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6]HH)2(CH3){5|C<4>}	H(CN[6]HH)	109.4737	0.052	3	109.7029	0.869	52	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4890	0.023	3	109.4890	0.001	3	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4648	0.041	18	109.4648	0.002	18	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	H(CN[6]HH)	109.4594	0.036	11	109.4594	0.001	11	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(CN[6]HH)	109.9546	1.189	5	109.7059	0.927	8	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(CN[6]HH)	109.2913	0.085	3	109.7059	0.927	8	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3){1|C<3>,1|N<2>,2|H<1>}	H(CN[6]HH)	109.4780	0.013	2	109.4780	0.000	2	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4755	0.029	2	109.4755	0.001	2	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4696	0.016	9	109.4595	0.001	13	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){3|C<3>}	H(CN[6]HH)	109.4370	0.035	4	109.4595	0.001	13	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3){2|C<3>}	H(CN[6]HH)	109.4680	0.034	3	109.4680	0.001	3	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|H<1>}	H(CN[6]HH)	109.4933	0.029	3	109.4798	0.000	9	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CN[6]HH)	109.4747	0.019	3	109.4798	0.000	9	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(CN[6]HH)	109.4713	0.017	3	109.4798	0.000	9	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CC)2(CH3){1|C<4>,4|H<1>}	H(CN[6]HH)	109.4727	0.042	10	109.4727	0.002	10	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4904	0.035	10	109.4772	0.001	20	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(CN[6]HH)	109.4335	0.030	2	109.4772	0.001	20	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>}	H(CN[6]HH)	109.4713	0.031	3	109.4772	0.001	20	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>}	H(CN[6]HH)	109.4735	0.008	2	109.4772	0.001	20	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(CN[6]HH)	109.4710	0.051	3	109.4772	0.001	20	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]CH)2(CH3){1|C<4>,4|H<1>}	H(CN[6]HH)	110.2045	2.572	2	110.2045	6.614	2	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,3|H<1>}	H(CN[6]HH)	110.4237	0.789	3	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|H<1>,2|C<4>}	H(CN[6]HH)	109.4720	0.025	4	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	H(CN[6]HH)	109.4659	0.035	8	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4890	0.030	3	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|H<1>,2|C<3>}	H(CN[6]HH)	109.4643	0.026	3	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,3|H<1>}	H(CN[6]HH)	109.4580	0.036	3	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	H(CN[6]HH)	109.6274	0.823	34	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|H<1>,1|O<2>,3|C<4>}	H(CN[6]HH)	109.4625	0.032	4	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	H(CN[6]HH)	109.5028	0.437	415	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(CN[6]HH)	109.4729	0.033	77	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|O<2>,4|H<1>}	H(CN[6]HH)	109.2594	1.518	9	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){1|P<4>,4|H<1>}	H(CN[6]HH)	109.4607	0.055	23	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){2|C<3>,2|H<1>}	H(CN[6]HH)	109.4708	0.030	5	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){2|C<4>,3|H<1>}	H(CN[6]HH)	109.4800	0.007	2	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6]HH)2(CH3){3|C<3>}	H(CN[6]HH)	109.7450	1.864	27	109.5141	0.351	620	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(CN[6]HH)	109.4940	0.013	3	109.4940	0.000	3	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	H(CN[6]HH)	109.4700	0.000	1	109.4724	0.000	8	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(CN[6]HH)	109.4800	0.000	1	109.4724	0.000	8	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(CN[6]HH)	109.4715	0.024	6	109.4724	0.000	8	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	H(CN[6]HH)	109.4699	0.028	30	109.4684	0.001	56	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	H(CN[6]HH)	109.4677	0.025	22	109.4684	0.001	56	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	H(CN[6]HH)	109.4605	0.038	4	109.4684	0.001	56	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6]H)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]C[6a]N[6]H)2(CH3){2|H<1>,5|C<3>}	H(CN[6]HH)	109.4608	0.031	5	109.4608	0.001	5	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]HH)	109.4235	0.032	2	109.4235	0.001	2	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3){1|Ga<4>,3|C<4>}	H(CN[6]HH)	109.4635	0.035	2	109.4635	0.001	2	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]AlH)(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]AlH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	H(CN[6]HH)	109.4782	0.027	6	109.4782	0.001	6	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	H(CN[6]HH)	109.4529	0.025	9	109.9785	3.777	73	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]HH)	109.4822	0.039	5	109.9785	3.777	73	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|C<3>,2|C<4>}	H(CN[6]HH)	109.5130	0.032	6	109.9785	3.777	73	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	H(CN[6]HH)	109.4100	4.643	6	109.9785	3.777	73	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){2|Al<4>,3|C<4>}	H(CN[6]HH)	109.4880	0.023	3	109.9785	3.777	73	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	H(CN[6]HH)	110.3169	1.877	44	109.9785	3.777	73	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	H(CN[6]HH)	109.5043	0.046	3	109.7570	1.866	19	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	H(CN[6]HH)	109.8044	1.491	16	109.7570	1.866	19	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(H)3	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]2)(H)3	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,2|N<3>,4|H<1>}	H(CN[6]HH)	109.4733	0.018	3	109.4733	0.000	3	109.5643	0.626	1127	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(N[6]C[6]P[6])(H)3	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CH3)	H(CN[6]HH)	C(N[6]C[6]P[6])(H)3	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.5092	0.044	8	109.5092	0.002	8	109.5092	0.002	8	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3){1|F<1>,4|C<3>}	H(CN[6]HH)	109.4615	0.036	2	109.4615	0.001	2	109.4688	0.000	6	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3){2|C<4>,2|H<1>}	H(CN[6]HH)	109.4660	0.000	1	109.4660	0.000	1	109.4688	0.000	6	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(CN[6]HH)	109.4747	0.004	3	109.4747	0.000	3	109.4688	0.000	6	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3)	H(CN[6]HH)	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3){2|C<3>,2|P<4>}	H(CN[6]HH)	109.4690	0.016	5	109.4690	0.000	5	109.4874	0.001	42	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	H(CN[6]HH)	109.4864	0.049	9	109.4898	0.001	37	109.4874	0.001	42	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|P<4>}	H(CN[6]HH)	109.4695	0.005	2	109.4898	0.001	37	109.4874	0.001	42	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|P<4>,3|H<1>}	H(CN[6]HH)	109.4965	0.030	14	109.4898	0.001	37	109.4874	0.001	42	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]P[6,6]C[6])(H)3	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,2|P<4>}	H(CN[6]HH)	109.4880	0.032	12	109.4898	0.001	37	109.4874	0.001	42	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(N[6]P[6]2)(H)3	N[6](P[6]N[6]NN)2(CH3)	H(CN[6]HH)	C(N[6]P[6]2)(H)3	N[6](P[6]N[6]NN)2(CH3){1|P<4>}	H(CN[6]HH)	109.4529	0.046	7	109.4529	0.002	7	109.4529	0.002	7	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>}	H(CN[6]HH)	109.4760	0.019	3	109.4760	0.000	3	109.4840	0.001	14	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>}	H(CN[6]HH)	109.5013	0.035	3	109.5013	0.001	3	109.4840	0.001	14	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	H(CN[6]HH)	109.4932	0.014	5	109.4805	0.001	8	109.4840	0.001	14	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:1:1:1:	4:4:4:	4:	N[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	H(CN[6]HH)	C(N[6]C[6]S[6])(H)3	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	H(CN[6]HH)	109.4593	0.024	3	109.4805	0.001	8	109.4840	0.001	14	109.5478	0.687	1408	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:2:1:1:	3:3:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.7525	0.021	2	108.7525	0.000	2	108.7525	0.000	2	108.7525	0.000	2	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:2:1:1:	3:4:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6,6])(CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(CN[6]CH)	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|C<3>,3|C<4>}	H(CN[6]CH)	109.5185	2.978	2	109.5185	8.866	2	108.9795	0.684	22	109.0030	0.631	24	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	108.5417	0.140	8	108.9461	0.320	16	108.9795	0.684	22	109.0030	0.631	24	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.3504	0.541	8	108.9461	0.320	16	108.9795	0.684	22	109.0030	0.631	24	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:C-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.8440	0.080	4	108.8440	0.006	4	108.9795	0.684	22	109.0030	0.631	24	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(OC)(H)2	N[6](C[6]C[6]HH)2(CHHO)	H(CN[6]HO)	C(N[6]C[6]2)(OC)(H)2	N[6](C[6]C[6]HH)2(CHHO){1|N<3>,4|H<1>}	H(CN[6]HO)	109.2605	0.021	2	109.2605	0.000	2	109.2605	0.000	2	109.0030	0.631	24	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.1310	0.040	2	109.1310	0.002	2	109.1310	0.002	2	108.9272	0.128	9	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH){1|Se<2>,1|N<3>,1|S<2>,2|C<3>}	H(CC[6a]N[6]H)	108.7095	0.016	2	108.7095	0.000	2	108.7095	0.000	2	108.9272	0.128	9	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	H(CC[6a]N[6]H)	108.6485	0.022	2	108.6485	0.000	2	108.6485	0.000	2	108.9272	0.128	9	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH){1|N<3>,6|C<3>}	H(CC[6a]N[6]H)	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.9272	0.128	9	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C-4:	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]N[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,2|N<2>}	H(CC[6a]N[6]H)	109.2775	0.655	2	109.2775	0.430	2	109.2775	0.430	2	108.9272	0.128	9	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C-4:O[6]-2:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6])	H(CC[6a]N[6]H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6]){2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.3995	0.008	2	108.3995	0.000	2	108.3995	0.000	2	108.3995	0.000	2	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	109.0755	0.011	2	109.0755	0.000	2	109.2585	0.045	4	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(H)2	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	109.4415	0.011	2	109.4415	0.000	2	109.2585	0.045	4	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.7396	0.097	7	108.7396	0.009	7	108.7396	0.009	7	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	H(CN[5a]N[6]H)	109.4390	0.007	2	109.4390	0.000	2	109.4390	0.000	2	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CN[6]CH)	108.4495	0.050	2	108.4495	0.003	2	108.7188	0.098	4	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(COO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(CN[6]CH)	108.9880	0.018	2	108.9880	0.000	2	108.7188	0.098	4	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C-4:	C(N[6]N[5,6]C[6])(CCH)(H)2	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]N[5,6]C[6])(CCH)(H)2	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[6]CH)	107.4305	5.209	2	107.4305	27.136	2	107.4305	27.136	2	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]N[5a,6]C[6])(CCH)(H)2	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]N[5a,6]C[6])(CCH)(H)2	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(CN[6]CH)	110.1985	5.518	2	110.1985	30.443	2	110.1985	30.443	2	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	H(CC[6a]N[6]H)	108.8205	0.018	2	108.8205	0.000	2	109.0544	0.020	14	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	H(CC[6a]N[6]H)	109.1482	0.110	6	109.1482	0.012	6	109.0544	0.020	14	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]N[6]H)	109.0385	0.083	6	109.0385	0.007	6	109.0544	0.020	14	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	H(CC[6a]N[6]H)	108.6905	0.067	2	108.6905	0.005	2	108.6905	0.005	2	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[6a]N[6]H)	108.8128	0.106	6	108.8128	0.011	6	108.7506	0.010	16	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	H(CC[6a]N[6]H)	108.7440	0.025	2	108.7440	0.001	2	108.7506	0.010	16	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6a]N[6]H)	108.6390	0.007	2	108.6390	0.000	2	108.7506	0.010	16	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]N[6]H)	108.8460	0.010	2	108.8460	0.000	2	108.7506	0.010	16	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.6915	0.009	2	108.6915	0.000	2	108.7506	0.010	16	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	H(CC[6a]N[6]H)	108.6455	0.026	2	108.6455	0.001	2	108.7506	0.010	16	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	H(CC[6a]N[6]H)	108.8060	0.014	2	108.8060	0.000	2	108.8060	0.000	2	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6,6]C[6])2(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){2|H<1>,4|C<4>}	H(CN[6]2H)	107.3720	2.268	2	107.3720	5.146	2	107.3720	5.146	2	108.8374	1.392	57	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	H(CC[6a]N[6]H)	109.1870	0.004	2	109.1870	0.000	2	109.3297	0.027	4	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|H<1>,3|C<4>}	H(CC[6a]N[6]H)	109.4725	0.009	2	109.4725	0.000	2	109.3297	0.027	4	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CCH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	108.7990	0.028	2	108.7990	0.001	2	109.1448	0.409	14	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CC[6a]O)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	H(CN[6]CH)	108.7325	0.047	2	109.3760	0.481	9	109.1448	0.409	14	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CC[6a]O)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CC[6a]O)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	109.5599	0.680	7	109.3760	0.481	9	109.1448	0.409	14	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(COO)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(COO)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	108.6817	0.226	3	108.6817	0.051	3	109.1448	0.409	14	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[4,6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[4,6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.9515	0.066	2	108.9515	0.004	2	108.9515	0.004	2	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){5|C<3>}	H(CC[6a]N[6]H)	108.4680	0.030	2	108.4680	0.001	2	108.4680	0.001	2	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.7670	0.020	2	108.7670	0.000	2	108.7670	0.000	2	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	H(CC[6a]N[6]H)	108.8070	0.114	10	108.8070	0.013	10	108.8305	0.014	12	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.9480	0.035	2	108.9480	0.001	2	108.8305	0.014	12	108.9912	0.209	36	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	H(CC[6a]N[6]H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6a]N[6]H)	109.4000	0.018	2	109.1200	0.105	4	109.3381	0.096	12	109.3381	0.096	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	H(CC[6a]N[6]H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.8400	0.018	2	109.1200	0.105	4	109.3381	0.096	12	109.3381	0.096	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6])	H(CC[6a]N[6]H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(CC[6a]N[6]H)	109.3430	0.000	1	109.3430	0.000	1	109.3381	0.096	12	109.3381	0.096	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])	H(CC[6a]N[6]H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	H(CC[6a]N[6]H)	109.6715	0.099	4	109.6715	0.010	4	109.3381	0.096	12	109.3381	0.096	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:2:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6])	H(CC[6a]N[6]H)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	H(CC[6a]N[6]H)	109.1827	0.019	3	109.1827	0.000	3	109.3381	0.096	12	109.3381	0.096	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH){2|C<3>,2|H<1>}	H(CC[5]N[6]H)	109.2905	0.019	2	109.2905	0.000	2	108.9314	0.246	10	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	H(CC[5]N[6]H)	108.8416	0.520	8	108.8416	0.270	8	108.9314	0.246	10	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	H(CC[5a]N[6]H)	109.2950	0.195	3	109.2950	0.038	3	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|O<2>,4|H<1>}	H(CC[5a]N[6]H)	109.2350	0.057	2	109.2350	0.003	2	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(CC[5a]N[6]H)	109.4727	0.025	3	109.4727	0.001	3	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|H<1>}	H(CC[5a]N[6]H)	109.3580	0.027	2	109.3580	0.001	2	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|C<4>,4|H<1>}	H(CC[5a]N[6]H)	109.4030	0.000	1	109.4030	0.000	1	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]N[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|O<2>,4|H<1>}	H(CC[5a]N[6]H)	108.8280	0.024	2	108.8280	0.001	2	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|C<4>,4|H<1>}	H(CC[5a]N[6]H)	109.7605	2.883	2	109.7605	8.311	2	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|O<2>,3|H<1>}	H(CC[5a]N[6]H)	107.6070	0.058	2	107.6070	0.003	2	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)	H(CC[5a]N[6]H)	C(C[5a]N[5a]O[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH){1|N<3>,4|H<1>}	H(CC[5a]N[6]H)	108.9290	0.018	2	108.9290	0.000	2	109.1127	0.818	19	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6]N[6]H)	109.1595	1.537	2	109.1595	2.361	2	109.0138	0.307	28	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|N<3>,4|H<1>}	H(CC[6]N[6]H)	108.9451	0.265	18	108.9732	0.070	20	109.0138	0.307	28	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	H(CC[6]N[6]H)	109.2255	0.021	2	108.9732	0.070	20	109.0138	0.307	28	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|C<4>,4|H<1>}	H(CC[6]N[6]H)	109.7067	0.139	4	109.7067	0.019	4	109.0138	0.307	28	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6]HH){1|Cu<5>,3|C<4>}	H(CC[6]N[6]H)	107.8890	0.013	2	107.8890	0.000	2	109.0138	0.307	28	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[5,6]2)(H)2	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	H(CC[6a]N[6]H)	109.2520	0.004	2	109.2520	0.000	2	109.2520	0.000	2	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	H(CC[6a]N[6]H)	109.0495	0.019	2	109.0495	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	H(CC[6a]N[6]H)	108.9197	0.079	4	108.9197	0.006	4	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6]H)	109.3400	0.034	2	109.3400	0.001	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(CC[6a]N[6]H)	108.8490	0.045	2	108.8880	0.011	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	H(CC[6a]N[6]H)	108.9160	0.149	4	108.8880	0.011	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	H(CC[6a]N[6]H)	108.8710	0.035	2	108.8880	0.011	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6a]N[6]H)	108.7370	0.011	2	108.7370	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>,2|O<2>}	H(CC[6a]N[6]H)	109.1305	0.008	2	109.1305	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.2500	0.000	1	108.2500	0.000	1	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]N[6]H)	108.9055	0.012	2	108.9055	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	H(CC[6a]N[6]H)	107.9310	0.006	2	107.9310	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]N[6]H)	108.1610	1.038	2	106.9990	2.169	4	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(CC[6a]N[6]H)	105.8370	0.173	2	106.9990	2.169	4	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.9505	0.057	2	108.7591	0.537	17	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]N[6]H)	108.2150	2.567	2	108.7591	0.537	17	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]N[6]H)	109.1720	0.020	2	108.7591	0.537	17	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(CC[6a]N[6]H)	108.8833	0.111	3	108.7591	0.537	17	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.5207	0.239	4	108.7591	0.537	17	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.8740	0.399	4	108.7591	0.537	17	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	H(CC[6a]N[6]H)	108.3895	0.021	2	108.3895	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	H(CC[6a]N[6]H)	108.5368	0.048	6	108.7261	0.125	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,4|C<4>}	H(CC[6a]N[6]H)	109.2940	0.040	2	108.7261	0.125	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(CC[6a]N[6]H)	109.5580	0.081	4	109.5580	0.007	4	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	108.6365	0.076	2	108.6365	0.006	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(CC[6a]N[6]H)	107.8220	0.028	2	107.8220	0.001	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	H(CC[6a]N[6]H)	108.7495	0.450	19	108.8909	0.893	28	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]N[6]H)	108.9520	0.077	4	108.8909	0.893	28	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.3794	2.171	5	108.8909	0.893	28	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.6590	0.731	10	108.8476	0.552	34	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]N[6]H)	108.9020	0.020	2	108.8476	0.552	34	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	H(CC[6a]N[6]H)	108.9970	0.197	4	108.8476	0.552	34	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	H(CC[6a]N[6]H)	109.3119	0.182	7	108.8476	0.552	34	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.6807	0.649	9	108.8476	0.552	34	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){5|C<4>}	H(CC[6a]N[6]H)	108.5640	2.715	2	108.8476	0.552	34	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	108.6130	0.369	4	108.6130	0.136	4	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.9857	0.510	10	108.9857	0.260	10	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	H(CC[6a]N[6]H)	108.8325	0.067	2	108.8325	0.005	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	H(CC[6a]N[6]H)	108.7335	0.012	2	108.7335	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.0857	0.082	4	109.0857	0.007	4	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(CC[6a]N[6]H)	109.3050	0.000	1	109.2028	0.023	5	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[6]H)	108.9490	0.000	1	109.2028	0.023	5	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[6]H)	109.2910	0.021	2	109.2028	0.023	5	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	H(CC[6a]N[6]H)	109.1780	0.000	1	109.2028	0.023	5	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	H(CC[6a]N[6]H)	109.0254	0.071	5	109.0254	0.005	5	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[6]H)	105.0819	9.843	2	108.3838	7.146	19	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CC[6a]N[6]H)	109.1235	0.117	2	108.3838	7.146	19	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]N[6]H)	108.8270	0.045	3	108.3838	7.146	19	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<4>,3|H<1>}	H(CC[6a]N[6]H)	108.5190	0.018	2	108.3838	7.146	19	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]N[6]H)	109.0800	0.044	2	108.3838	7.146	19	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]N[6]H)	107.9460	0.935	4	108.3838	7.146	19	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	H(CC[6a]N[6]H)	109.3547	0.152	4	108.3838	7.146	19	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	H(CC[6a]N[6]H)	109.0365	0.037	2	109.0365	0.001	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH){1|C<4>,4|H<1>}	H(CC[6a]N[6]H)	109.2355	0.021	2	109.2355	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(CC[6a]N[6]H)	108.8860	0.018	2	109.3241	0.073	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.4702	0.009	6	109.3241	0.073	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH){1|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.9515	0.037	2	108.9515	0.001	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<2>,1|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.9430	0.000	1	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.5285	0.011	2	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	H(CC[6a]N[6]H)	108.9321	0.167	14	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|I<1>,3|H<1>}	H(CC[6a]N[6]H)	108.9548	0.263	4	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]N[6]H)	109.3053	1.829	9	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(CC[6a]N[6]H)	108.9040	0.696	67	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|H<1>,2|C<4>,2|F<1>}	H(CC[6a]N[6]H)	108.4420	0.008	2	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	H(CC[6a]N[6]H)	108.8546	0.746	165	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	H(CC[6a]N[6]H)	108.9588	0.279	23	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.8870	0.014	2	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	H(CC[6a]N[6]H)	108.9879	0.340	71	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){2|Cl<1>,1|F<1>,2|C<4>}	H(CC[6a]N[6]H)	108.6575	0.008	2	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	108.9776	0.155	8	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){3|C<3>}	H(CC[6a]N[6]H)	108.8368	0.319	6	108.9075	0.439	376	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	H(CC[6a]N[6]H)	109.0065	0.015	2	109.0065	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.7272	0.173	4	108.9068	0.184	5	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]N[6]H)	109.6250	0.000	1	108.9068	0.184	5	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CC[6a]N[6]H)	109.0175	0.050	4	108.9785	0.029	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	H(CC[6a]N[6]H)	108.9395	0.247	4	108.9785	0.029	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	H(CC[6a]N[6]H)	109.3650	0.335	6	109.2728	0.109	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	H(CC[6a]N[6]H)	108.9960	0.033	2	109.2728	0.109	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	H(CC[6a]N[6]H)	108.4580	0.016	2	108.6175	0.038	6	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|H<1>,3|C<4>,4|C<3>}	H(CC[6a]N[6]H)	108.6972	0.195	4	108.6175	0.038	6	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.1153	0.116	3	108.8826	0.058	9	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	H(CC[6a]N[6]H)	109.0095	0.032	2	108.8826	0.058	9	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	108.6445	0.063	4	108.8826	0.058	9	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	108.9149	0.327	7	108.9149	0.107	7	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	H(CC[6a]N[6]H)	109.6165	0.056	2	108.9580	0.146	10	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	H(CC[6a]N[6]H)	108.7934	0.181	8	108.9580	0.146	10	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.0040	0.047	2	109.3956	0.072	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	H(CC[6a]N[6]H)	109.4455	0.075	4	109.3956	0.072	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]2)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){2|Cu<2>,3|C<4>}	H(CC[6a]N[6]H)	109.6875	0.012	2	109.3956	0.072	8	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	H(CC[6a]N[6]H)	110.4160	2.198	2	110.4160	4.830	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	H(CC[6a]N[6]H)	108.9265	0.133	4	108.9265	0.018	4	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(CC[6a]N[6]H)	109.2100	0.000	1	109.2100	0.000	1	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	H(CC[6a]N[6]H)	108.8150	0.000	1	108.8150	0.000	1	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(CC[6a]N[6]H)	109.4740	0.000	1	109.4740	0.000	1	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(CC[6a]N[6]H)	109.4950	0.008	2	109.4950	0.000	2	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){1|Cu<5>,3|C<4>}	H(CC[6a]N[6]H)	108.9830	0.020	2	108.9887	0.067	7	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH){3|C<4>}	H(CC[6a]N[6]H)	108.9910	0.318	5	108.9887	0.067	7	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(CC[6a]N[6]H)	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	H(CC[6a]N[6]H)	108.5003	0.659	3	108.5003	0.435	3	108.8923	0.625	651	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(CN[5]N[6]H)	C(N[5]C[5,6a]C[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	H(CN[5]N[6]H)	109.4470	0.836	2	109.4470	0.699	2	108.4715	0.187	53	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(CN[5]N[6]H)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	H(CN[5]N[6]H)	108.1350	0.020	2	108.4150	0.165	5	108.4715	0.187	53	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(CN[5]N[6]H)	C(N[5]C[5]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	H(CN[5]N[6]H)	108.6017	0.445	3	108.4150	0.165	5	108.4715	0.187	53	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|C<4>,4|H<1>}	H(CN[5]N[6]H)	109.3305	0.015	2	108.4353	0.141	46	108.4715	0.187	53	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	H(CN[5]N[6]H)	108.4435	0.397	26	108.4353	0.141	46	108.4715	0.187	53	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(CN[5]N[6]H)	C(N[5]C[5]N[5])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	H(CN[5]N[6]H)	108.3239	0.186	18	108.4353	0.141	46	108.4715	0.187	53	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	H(CN[5a]N[6]H)	109.4960	0.190	6	109.3664	0.637	8	109.3410	4.112	24	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a,6a]C[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|O<2>,4|H<1>}	H(CN[5a]N[6]H)	108.9775	1.969	2	109.3664	0.637	8	109.3410	4.112	24	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a,6a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	H(CN[5a]N[6]H)	108.3870	0.025	2	108.3870	0.001	2	109.3410	4.112	24	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]N[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	H(CN[5a]N[6]H)	108.0860	0.023	2	108.0860	0.001	2	109.3410	4.112	24	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<3>,3|H<1>}	H(CN[5a]N[6]H)	111.3220	6.220	2	109.9804	8.742	10	109.3410	4.112	24	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<4>,4|H<1>}	H(CN[5a]N[6]H)	109.5425	0.029	2	109.9804	8.742	10	109.3410	4.112	24	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]C[5a]S[5a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	H(CN[5a]N[6]H)	109.6792	2.663	6	109.9804	8.742	10	109.3410	4.112	24	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(CN[5a]N[6]H)	C(N[5a]N[5a]2)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH){1|O<2>,4|H<1>}	H(CN[5a]N[6]H)	108.2515	0.025	2	108.2515	0.001	2	109.3410	4.112	24	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH){3|C<4>,5|H<1>}	H(CN[6]CH)	108.8983	0.158	4	108.8983	0.025	4	108.5935	0.117	8	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(CN[6]CH)	108.2887	0.027	4	108.2887	0.001	4	108.5935	0.117	8	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCC)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.1720	0.020	2	109.1720	0.000	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCC)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCC)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.1002	1.968	5	109.1002	3.873	5	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	H(CN[6]CH)	108.3575	0.026	2	108.3575	0.001	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|H<1>,3|C<4>}	H(CN[6]CH)	108.9890	0.000	1	108.9890	0.000	1	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.0122	0.486	4	109.1092	0.164	6	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCH)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	H(CN[6]CH)	109.3030	0.011	2	109.1092	0.164	6	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	108.7252	2.697	6	108.7252	7.274	6	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[4]N)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[4]N)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	109.5455	0.006	2	109.5455	0.000	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[4]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[4]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.0840	0.040	2	109.0503	0.002	4	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[4]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[4]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	H(CN[6]CH)	109.0165	0.009	2	109.0503	0.002	4	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<2>,4|H<1>}	H(CN[6]CH)	112.6515	4.133	2	112.6515	17.082	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	H(CN[6]CH)	109.6600	0.000	1	109.6600	0.000	1	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|H<1>,3|C<4>}	H(CN[6]CH)	108.6500	0.010	2	108.6500	0.000	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.2250	0.065	2	109.0627	0.795	21	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.0366	0.994	17	109.0627	0.795	21	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CNO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	109.1225	0.016	2	109.0627	0.795	21	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[5]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	111.2875	2.781	2	111.2875	7.734	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	108.5760	0.027	2	109.0703	1.452	13	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.2770	1.422	9	109.0703	1.452	13	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	H(CN[6]CH)	108.6345	0.086	2	109.0703	1.452	13	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6]C[6a]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6]C[6a]H)2(CCHH){2|C<4>,2|N<2>,5|C<3>}	H(CN[6]CH)	109.7495	0.053	2	109.7495	0.003	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){2|C<4>,3|C<3>}	H(CN[6]CH)	108.1865	0.164	4	108.1865	0.027	4	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|O<1>,1|O<2>,2|H<1>}	H(CN[6]CH)	108.2700	0.068	4	108.2700	0.005	4	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]CH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]CH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	107.9340	0.004	2	107.9340	0.000	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	H(CN[6]CH)	108.1150	0.018	2	108.5085	0.207	4	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.9020	0.004	2	108.5085	0.207	4	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(CN[6]CH)	108.9810	0.023	2	108.9810	0.001	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){2|C<3>}	H(CN[6]CH)	109.3880	0.025	2	109.3880	0.001	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(COO)(H)2	N[6](C[6]N[6]HH)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(CN[6]CH)	108.8830	0.035	2	108.8830	0.001	2	109.0621	1.786	91	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(CCH)(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCH)(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH){2|C<3>}	H(CN[6]CH)	109.2697	0.011	3	109.2697	0.000	3	109.2697	0.000	3	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6a]N[6]H)	109.4745	0.047	2	109.4745	0.002	2	109.1288	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(CC[6a]N[6]H)	109.4360	0.000	1	109.4360	0.000	1	109.1288	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(CC[6a]N[6]H)	108.8955	0.008	2	108.9412	0.003	4	109.1288	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	H(CC[6a]N[6]H)	108.9870	0.010	2	108.9412	0.003	4	109.1288	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	H(CC[6a]N[6]H)	108.9574	0.278	5	108.9574	0.077	5	109.1288	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	H(CC[6a]N[6]H)	109.4330	0.017	2	109.4330	0.000	2	109.1288	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(CC[6a]N[6]H)	108.8590	0.033	2	108.8590	0.001	2	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(CC[6a]N[6]H)	109.3360	0.000	1	109.3360	0.000	1	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(CC[6a]N[6]H)	109.3975	0.012	2	108.1418	16.842	4	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	106.8860	6.650	2	108.1418	16.842	4	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,3|C<4>,3|H<1>}	H(CC[6a]N[6]H)	109.0885	0.025	2	109.0885	0.001	2	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	H(CC[6a]N[6]H)	108.9150	0.007	2	108.9150	0.000	2	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,6|H<1>}	H(CC[6a]N[6]H)	108.6650	0.065	2	108.7855	0.021	4	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	H(CC[6a]N[6]H)	108.9060	0.016	2	108.7855	0.021	4	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,4|C<4>,5|C<3>}	H(CC[6a]N[6]H)	108.8510	0.058	2	108.9480	0.014	4	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	H(CC[6a]N[6]H)	109.0450	0.048	2	108.9480	0.014	4	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.4643	0.053	3	109.4643	0.003	3	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	H(CC[6a]N[6]H)	109.2357	0.079	4	109.2357	0.006	4	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]N[6]H)	108.9223	0.225	3	108.9223	0.050	3	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	H(CC[6a]N[6]H)	109.5040	0.000	1	109.5040	0.000	1	108.9390	1.900	30	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6,6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH){3|C<4>,4|H<1>}	H(CC[6a]N[6]H)	109.3164	0.143	5	109.3164	0.020	5	109.3164	0.020	5	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.2561	0.610	10	109.2561	0.373	10	109.2561	0.373	10	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]N[6]H)	109.5130	0.030	2	109.6547	0.017	6	109.6547	0.017	6	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<4>,3|H<1>}	H(CC[6a]N[6]H)	109.7950	0.041	2	109.6547	0.017	6	109.6547	0.017	6	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){2|C<4>,2|H<1>}	H(CC[6a]N[6]H)	109.6560	0.028	2	109.6547	0.017	6	109.6547	0.017	6	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH){2|C<3>,2|P<4>}	H(CC[6a]N[6]H)	109.2584	0.236	5	109.2584	0.055	5	108.7870	3.131	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	H(CC[6a]N[6]H)	109.1370	0.000	1	109.1370	0.000	1	108.7870	3.131	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]P[6,6]C[6])(C[6a]C[6a]2)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,2|H<1>,2|P<4>}	H(CC[6a]N[6]H)	108.4486	2.340	8	108.4486	5.476	8	108.7870	3.131	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]N[6]H)	109.2692	0.191	4	109.2692	0.036	4	109.5519	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	H(CC[6a]N[6]H)	109.6146	0.258	8	109.6146	0.067	8	109.5519	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6a]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH)	H(CC[6a]N[6]H)	C(N[6]C[6]S[6])(C[6a]C[6a]2)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH){1|C<4>,2|C<3>}	H(CC[6a]N[6]H)	109.8665	0.023	2	109.8665	0.001	2	109.5519	0.087	14	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(NC[3]C)(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN)	H(CN[6]HN)	C(N[6]C[5,6]C[6])(NC[3]C)(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(CN[6]HN)	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(NNiC)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	H(CN[6]HN)	C(N[6]C[6]2)(NNiC)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	H(CN[6]HN)	106.9520	1.636	2	106.9520	2.677	2	106.9520	2.677	2	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH){2|C<4>,2|H<1>}	H(CN[6]2H)	109.4665	0.005	2	109.4665	0.000	2	109.6421	1.084	26	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|C<4>,4|H<1>}	H(CN[6]2H)	109.3300	0.042	4	109.5442	1.342	20	109.6421	1.084	26	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|N<3>,4|H<1>}	H(CN[6]2H)	109.4880	1.890	8	109.5442	1.342	20	109.6421	1.084	26	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]C[6]HH)2(CN[6]HH){1|N<4>,4|H<1>}	H(CN[6]2H)	109.7075	0.090	8	109.5442	1.342	20	109.6421	1.084	26	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)2(H)2	N[6](C[6]N[6]HH)2(CN[6]HH)	H(CN[6]2H)	C(N[6]C[6]2)2(H)2	N[6](C[6]N[6]HH)2(CN[6]HH){1|C<3>,2|H<1>}	H(CN[6]2H)	110.2192	0.046	4	110.2192	0.002	4	109.6421	1.084	26	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	H(CN[6]HP)	108.7049	0.377	7	108.8438	0.107	13	108.8438	0.107	13	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:P-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	H(CN[6]HP)	109.0060	0.166	6	108.8438	0.107	13	108.8438	0.107	13	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[6a]HH)	H(CN[6a]N[6]H)	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CN[6a]HH){1|O<2>,4|H<1>}	H(CN[6a]N[6]H)	108.0395	0.018	2	108.0395	0.000	2	108.0395	0.000	2	108.9379	0.863	1026	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|N<3>,3|C<3>,3|H<1>}	H(CC[6a]N[6]C)	105.7320	0.000	1	105.7320	0.000	1	105.7320	0.000	1	105.7320	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:3:4:	4:	C[5a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	H(CC[5a]N[6]C)	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	H(CC[5a]N[6]C)	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:2:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6]-4:C-4:O[6]-2:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6])	H(CC[6a]2N[6])	C(N[6]C[6]O[6])(C[6a]C[6a]2)2(H)	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>}	H(CC[6a]2N[6])	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a]-3:C[6a]-3:N[6]-3:H-1:	C-4:C[6]-4:C[6]-4:	C-4:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2	H(CC[5a]C[6a]N[6])	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(CC[5a]C[6a]N[6])	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)2(CC[5a]CH)	H(CC[5a]N[6]C)	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)2(CC[5a]CH){1|C<4>,4|H<1>}	H(CC[5a]N[6]C)	113.6590	0.000	1	113.6590	0.000	1	113.6590	0.000	1	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	H(CC[6a]2N[6])	107.7630	0.000	1	107.7630	0.000	1	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|C<4>,4|H<1>}	H(CC[6a]2N[6])	107.8463	0.392	3	107.7522	0.144	9	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	H(CC[6a]2N[6])	107.8227	0.413	4	107.7522	0.144	9	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	H(CC[6a]2N[6])	107.4700	0.362	2	107.7522	0.144	9	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	H(CC[6a]2N[6])	108.0125	0.045	2	108.0125	0.002	2	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6]HH)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6]HH)2(CC[6a]2H){2|H<1>,3|C<4>}	H(CC[6a]2N[6])	108.3490	0.054	2	108.3490	0.003	2	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	H(CC[6a]2N[6])	108.1968	0.789	17	108.1616	0.445	39	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	H(CC[6a]2N[6])	108.1818	0.579	20	108.1616	0.445	39	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	H(CC[6a]2N[6])	107.6620	0.253	2	108.1616	0.445	39	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]N[5,6]HH)2(CC[6a]2H)	H(CC[6a]2N[6])	C(C[6a]C[6a]2)2(N[6]C[6]2)(H)	N[6](C[6]N[5,6]HH)2(CC[6a]2H){1|C<4>,2|C<3>}	H(CC[6a]2N[6])	108.6405	0.029	2	108.6405	0.001	2	108.1062	0.373	55	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[5]-3:N[6]-3:H-1:	C-4:C[6]-4:C[6]-4:	C-4:	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2	H(CC[6a]N[5]N[6])	C(C[6a]C[6a]2)(N[5]C[5]2)(N[6]C[6]2)(H)	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2{1|Se<2>,4|H<1>}	H(CC[6a]N[5]N[6])	105.3010	0.000	1	105.3010	0.000	1	105.3010	0.000	1	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	H(CC[6a]N[6]C)	109.3180	0.000	1	109.3180	0.000	1	108.3578	1.748	6	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCN)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	H(CC[6a]N[6]C)	107.8015	0.245	2	107.8015	0.060	2	108.3578	1.748	6	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[3]O)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(CC[6a]N[6]C)	109.4270	0.000	1	109.4270	0.000	1	108.3578	1.748	6	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(COO)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(CC[6a]N[6]C)	107.8995	2.361	2	107.8995	5.574	2	108.3578	1.748	6	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NCC)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN)	H(CC[6a]N[6]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NCC)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	H(CC[6a]N[6]N)	107.9020	0.000	1	107.9020	0.000	1	107.2715	0.419	4	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN)	H(CC[6a]N[6]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	H(CC[6a]N[6]N)	106.7270	0.000	1	106.7130	0.000	2	107.2715	0.419	4	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN)	H(CC[6a]N[6]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN){1|O<2>,4|H<1>}	H(CC[6a]N[6]N)	106.6990	0.000	1	106.7130	0.000	2	107.2715	0.419	4	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN)	H(CC[6a]N[6]N)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	H(CC[6a]N[6]N)	107.7580	0.000	1	107.7580	0.000	1	107.2715	0.419	4	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C-4:C[6]-4:C[6]-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	H(CC[6a]N[6]2)	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(CC[6a]N[6]2)	108.0615	0.016	2	107.6241	0.110	8	107.6241	0.110	8	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C-4:C[6]-4:C[6]-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	H(CC[6a]N[6]2)	C(C[6a]C[6a]2)(N[6]C[6]2)2(H)	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(CC[6a]N[6]2)	107.4783	0.228	6	107.6241	0.110	8	107.6241	0.110	8	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:3:1:	4:4:4:	4:	N[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	H(CC[6a]2N[6])	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H){3|C<4>,5|H<1>}	H(CC[6a]2N[6])	106.4237	0.294	4	106.4237	0.087	4	106.4237	0.087	4	107.9748	1.083	80	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	105.7400	0.000	1	105.7400	0.000	1	106.0865	0.240	2	106.0865	0.240	2	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]N[6])(C[6a]C[6a]2)(CHHO)(H)	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>}	H(CC[6a]N[6]C)	106.4330	0.000	1	106.4330	0.000	1	106.0865	0.240	2	106.0865	0.240	2	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:2:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:	C-4:	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]O[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	H(CC[6a]N[6]C)	106.9460	0.000	1	106.9460	0.000	1	106.9460	0.000	1	106.9460	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	B[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH)	H(CB[6a]N[6]C)	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH){2|C<3>,2|H<1>}	H(CB[6a]N[6]C)	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[5a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	H(CC[5a]N[6]C)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CCHH)(H)	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>}	H(CC[5a]N[6]C)	106.2490	0.000	1	106.2490	0.000	1	106.9020	0.853	2	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[5a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	N[6](C[6]C[6]HH)2(CC[5a]CH)	H(CC[5a]N[6]C)	C(C[5a]C[5a]O[5a])(N[6]C[6]2)(CC[5a]HO)(H)	N[6](C[6]C[6]HH)2(CC[5a]CH){1|O<2>,4|H<1>}	H(CC[5a]N[6]C)	107.5550	0.000	1	107.5550	0.000	1	106.9020	0.853	2	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6]CH)	H(CC[6]N[6]C)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6]CH){1|O<2>,4|H<1>}	H(CC[6]N[6]C)	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	107.4630	0.000	1	107.4630	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	105.2180	0.000	1	105.2180	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]N[6]C)	106.2700	0.000	1	106.2700	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	H(CC[6a]N[6]C)	106.6300	0.000	1	106.6300	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCHO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	H(CC[6a]N[6]C)	106.8880	0.000	1	106.8880	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]FH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	H(CC[6a]N[6]C)	105.6910	0.086	2	105.6910	0.007	2	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	H(CC[6a]N[6]C)	108.3380	0.000	1	108.3380	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	H(CC[6a]N[6]C)	108.7040	0.000	1	108.6000	0.022	2	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]HO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	H(CC[6a]N[6]C)	108.4960	0.000	1	108.6000	0.022	2	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	106.4010	0.000	1	108.0280	5.294	2	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]N[6]C)	109.6550	0.000	1	108.0280	5.294	2	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	108.2940	0.000	1	108.4950	0.081	2	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	108.6960	0.000	1	108.4950	0.081	2	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6]HH)2(CC[6a]CH){2|C<4>,3|C<3>}	H(CC[6a]N[6]C)	103.8750	0.485	2	103.8750	0.235	2	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(CC[6a]N[6]C)	108.6513	0.232	4	108.6513	0.054	4	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	H(CC[6a]N[6]C)	107.8560	0.000	1	107.8560	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(CC[6a]N[6]C)	106.5880	0.000	1	106.5880	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,4|H<1>}	H(CC[6a]N[6]C)	110.4440	0.000	1	108.8272	3.121	5	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6a]N[6]C)	110.3560	0.000	1	108.8272	3.121	5	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(CC[6a]N[6]C)	107.7787	1.455	3	108.8272	3.121	5	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){3|C<3>}	H(CC[6a]N[6]C)	107.8213	1.381	3	107.8213	1.908	3	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	106.2142	0.193	5	106.2142	0.037	5	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHHO)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<3>,4|H<1>}	H(CC[6a]N[6]C)	105.8620	0.000	1	105.8620	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a]N[6a])(N[6]C[6]2)(CCHH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	H(CC[6a]N[6]C)	106.5540	0.000	1	106.5540	0.000	1	107.3060	2.623	37	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C-4:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	H(CC[6a]N[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6]P[6])(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	H(CC[6a]N[6]C)	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:C-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	H(CN[6]CC)	107.0780	0.000	1	107.0780	0.000	1	107.3180	0.118	3	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:C-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	H(CN[6]CC)	107.7110	0.000	1	107.4380	0.149	2	107.3180	0.118	3	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:C-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CN[6]O)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|S<2>,4|H<1>}	H(CN[6]CC)	107.1650	0.000	1	107.4380	0.149	2	107.3180	0.118	3	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[5,6]C[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CH3)(H)	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>}	H(CC[6a]N[6]C)	110.0500	0.000	1	110.0500	0.000	1	110.0500	0.000	1	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	H(CC[6a]N[6]C)	106.7188	0.596	4	106.7188	0.356	4	106.7192	0.267	5	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:C[6a]-3:C-4:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH)	H(CC[6a]N[6]C)	C(N[6]C[6]P[6])(C[6a]C[6a]2)(CH3)(H)	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH){2|C<3>}	H(CC[6a]N[6]C)	106.7210	0.000	1	106.7210	0.000	1	106.7192	0.267	5	107.2973	2.162	52	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCCH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	109.2315	0.056	2	109.2315	0.003	2	109.2159	0.070	10	109.2042	0.058	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CCHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CCHN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	109.7500	0.000	1	109.7500	0.000	1	109.2159	0.070	10	109.2042	0.058	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|F<1>,4|C<3>}	H(CN[6]CH)	109.3950	0.000	1	109.0472	0.039	5	109.2159	0.070	10	109.2042	0.058	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	108.9603	0.033	4	109.0472	0.039	5	109.2159	0.070	10	109.2042	0.058	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C-4:	C(N[6]C[6,6a]2)(CHHO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]2)(CHHO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|S<2>,2|H<1>,4|C<3>}	H(CN[6]CH)	109.3550	0.034	2	109.3550	0.001	2	109.2159	0.070	10	109.2042	0.058	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-3:P[6]-3:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]O)2(CCHH){1|C<4>,1|P<3>}	H(CN[6]CH)	109.1455	0.018	2	109.1455	0.000	2	109.1455	0.000	2	109.2042	0.058	12	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6,6])(CCHH)(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>}	H(CN[6]CH)	108.9520	0.000	1	108.9520	0.000	1	108.8873	0.012	3	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6,6])(CH3)(H)2	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>}	H(CN[6]CH)	108.8550	0.133	2	108.8550	0.018	2	108.8873	0.012	3	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC3)(H)2	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>}	H(CN[6]CH)	108.5590	0.023	2	108.5590	0.001	2	108.6962	0.095	13	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(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>}	H(CN[6]CH)	108.8612	0.072	4	108.8612	0.005	4	108.6962	0.095	13	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CCHH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	H(CN[6]CH)	108.8200	0.000	1	108.8200	0.000	1	108.6962	0.095	13	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CC[6a]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CC[6a]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>}	H(CN[6]CH)	108.3355	0.029	4	108.3355	0.001	4	108.6962	0.095	13	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.1625	0.066	2	109.1625	0.004	2	108.6962	0.095	13	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C-4:	C-4:	C(N[6]C[6,6a]S[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6a]S[6])(CCHH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	H(CN[6]CH)	109.2625	0.018	2	109.2625	0.000	2	109.2625	0.000	2	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	H(CN[6]CH)	108.9301	0.125	8	108.9301	0.016	8	109.0006	0.058	9	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	109.5640	0.000	1	109.5640	0.000	1	109.0006	0.058	9	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]IrH)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]IrH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	109.3683	0.200	4	109.3683	0.040	4	109.1741	0.470	9	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6]2Ru)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	107.6200	0.000	1	107.6200	0.000	1	109.1741	0.470	9	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Ir)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	109.1565	0.747	2	109.1565	0.559	2	109.1741	0.470	9	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(CN[6]HP)	C(N[6]C[6,6a]C[6])(PC[6a]2Rh)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(CN[6]HP)	109.5805	0.426	2	109.5805	0.182	2	109.1741	0.470	9	108.9071	0.230	37	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:2:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	H(CN[6]CH)	108.3675	1.961	2	108.3675	3.845	2	108.3675	3.845	2	108.3675	3.845	2	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]CH)	109.5710	0.023	2	109.5710	0.001	2	109.5105	0.113	6	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	H(CN[6]CH)	109.8510	0.055	2	109.8510	0.003	2	109.5105	0.113	6	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	H(CN[6]CH)	109.1095	0.050	2	109.1095	0.003	2	109.5105	0.113	6	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CCHH)(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>}	H(CN[6]CH)	109.2560	0.149	4	108.8868	0.332	8	108.8868	0.332	8	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CCHH)(H)2	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]N[6])(CCHH)(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>}	H(CN[6]CH)	108.5175	0.623	4	108.8868	0.332	8	108.8868	0.332	8	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:P[6]-3:C-4:	C-4:	C(N[6]P[6,6]P[6])(CH3)(H)2	N[6](P[6,6]N[6,6]N[6]O)(P[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]P[6,6]P[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.8170	0.140	3	108.8170	0.020	3	108.8170	0.020	3	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:P[6]-3:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)(P[6]N[6]O)(CCHH){1|P<4>,2|C<4>}	H(CN[6]CH)	109.5550	0.007	2	109.5550	0.000	2	109.5550	0.000	2	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	108.6390	0.052	4	108.6390	0.003	4	108.9091	0.197	8	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CC[6a]HH)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	108.7365	0.047	2	108.7365	0.002	2	108.9091	0.197	8	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C-4:H-1:H-1:	S[6]-4:C[6]-3:C-4:	C-4:	C(N[6]C[6]S[6])(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	H(CN[6]CH)	109.6220	0.020	2	109.6220	0.000	2	108.9091	0.197	8	109.0737	0.254	27	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CCHH)(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>}	H(CN[6]CH)	109.1805	0.028	2	109.1805	0.001	2	107.9178	1.011	6	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[3x6]C[6])(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>}	H(CN[6]CH)	107.5465	0.025	2	107.5465	0.001	2	107.9178	1.011	6	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[3x6]C[6])(CCHH)(H)2	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[3x6]C[6])(CCHH)(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>}	H(CN[6]CH)	107.0265	0.018	2	107.0265	0.000	2	107.9178	1.011	6	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(CCHH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	106.9613	0.040	3	106.9613	0.002	3	108.7485	0.349	36	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.1815	0.008	2	109.0483	0.056	6	108.7485	0.349	36	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.9818	0.275	4	109.0483	0.056	6	108.7485	0.349	36	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	109.0427	0.203	4	108.8805	0.051	27	108.7485	0.349	36	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6,6]C[6])(CH3)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6,6]C[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.8523	0.222	23	108.8805	0.051	27	108.7485	0.349	36	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CCHH)(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>}	H(CN[6]CH)	107.5173	0.038	4	107.5173	0.001	4	108.2256	0.395	14	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CCHH)(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>}	H(CN[6]CH)	108.9200	0.000	1	108.9200	0.000	1	108.2256	0.395	14	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(CCHH)(H)2	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(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>}	H(CN[6]CH)	107.5660	0.004	2	107.5660	0.000	2	108.2256	0.395	14	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(CC[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[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>}	H(CN[6]CH)	108.6833	0.048	4	108.6833	0.002	4	108.2256	0.395	14	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(CC[6a]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CC[6a]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>}	H(CN[6]CH)	108.6805	0.012	2	108.6805	0.000	2	108.2256	0.395	14	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[5,6]C[6])(CHHN)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[5,6]C[6])(CHHN)(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>}	H(CN[6]CH)	108.9440	0.000	1	108.9440	0.000	1	108.2256	0.395	14	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	108.1650	2.151	2	108.1650	4.627	2	108.5400	0.555	26	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	109.0800	0.000	1	108.8828	0.338	11	108.5400	0.555	26	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(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>}	H(CN[6]CH)	107.7170	0.011	2	108.8828	0.338	11	108.5400	0.555	26	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CCHH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CCHH)(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>}	H(CN[6]CH)	109.1496	0.089	8	108.8828	0.338	11	108.5400	0.555	26	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CC[5a]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>}	H(CN[6]CH)	108.1665	0.008	2	108.1554	0.012	11	108.5400	0.555	26	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CC[5a]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CC[5a]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>}	H(CN[6]CH)	108.1529	0.121	9	108.1554	0.012	11	108.5400	0.555	26	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(CHHO)(H)2	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6,6]C[6])(CHHO)(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>}	H(CN[6]CH)	109.1445	1.350	2	109.1445	1.822	2	108.5400	0.555	26	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.4591	0.208	9	108.4591	0.043	9	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	H(CN[6]CH)	108.8275	1.983	2	108.8275	3.934	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	107.7470	0.016	2	107.7470	0.000	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	107.9435	0.015	2	107.9435	0.000	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(CN[6]CH)	108.7470	0.000	1	108.7470	0.000	1	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	H(CN[6]CH)	109.1570	0.020	2	109.1570	0.000	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	H(CN[6]CH)	109.4450	0.010	2	109.4450	0.000	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	108.7740	0.000	1	108.7740	0.000	1	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	H(CN[6]CH)	109.0095	0.015	2	109.0095	0.000	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CC)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.1930	0.028	2	109.1930	0.001	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(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>}	H(CN[6]CH)	108.1840	0.023	2	108.1840	0.001	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,3|H<1>}	H(CN[6]CH)	108.5329	0.926	12	108.7859	1.121	169	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.0595	0.710	33	108.7859	1.121	169	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	H(CN[6]CH)	108.2105	4.905	2	108.7859	1.121	169	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.6561	1.089	89	108.7859	1.121	169	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	H(CN[6]CH)	109.1008	0.059	4	108.7859	1.121	169	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	109.0319	1.058	25	108.7859	1.121	169	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	H(CN[6]CH)	108.6138	0.079	4	108.7859	1.121	169	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	108.3350	0.000	1	108.3350	0.000	1	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(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>}	H(CN[6]CH)	109.0265	0.032	2	109.0265	0.001	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){1|C<3>,1|C<4>}	H(CN[6]CH)	108.6060	0.000	1	108.6060	0.000	1	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHH)(H)2	N[6](C[6]N[6]HH)2(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	108.9180	0.129	6	108.9180	0.017	6	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHN)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHN)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.5420	5.555	2	109.5420	30.858	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH){2|C<4>,3|H<1>}	H(CN[6]CH)	109.2507	0.150	4	109.2507	0.022	4	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	108.6335	0.036	4	108.6979	0.198	9	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.3213	0.297	3	108.6979	0.198	9	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CCHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	109.3915	0.033	2	108.6979	0.198	9	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[4]HH)(H)2	N[6](C[6]C[6]CC)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[4]HH)(H)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	108.7565	0.008	2	108.7565	0.000	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.0983	0.310	8	109.0129	0.107	10	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	108.6715	0.012	2	109.0129	0.107	10	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|H<1>,3|C<3>}	H(CN[6]CH)	108.4940	0.000	1	108.4940	0.000	1	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	108.8750	0.024	2	108.8750	0.001	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6]HS)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6]HS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	108.7830	0.010	2	108.7830	0.000	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	H(CN[6]CH)	109.1977	0.049	7	109.1977	0.002	7	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.1116	0.283	7	109.0304	0.069	17	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.0682	0.253	6	109.0304	0.069	17	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	108.9780	0.021	2	109.0304	0.069	17	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	H(CN[6]CH)	108.6850	0.021	2	109.0304	0.069	17	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CC[6a]HO)(H)2	N[6](C[6]C[6]HH)2(CCHH){2|C<4>,3|H<1>}	H(CN[6]CH)	109.3958	0.178	6	109.3958	0.032	6	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CClHH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CClHH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.1620	1.468	5	108.1620	2.156	5	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CClHH)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CClHH)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	108.8452	0.175	4	108.8452	0.031	4	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	H(CN[6]CH)	108.8920	0.095	6	108.8920	0.009	6	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	H(CN[6]CH)	109.1520	0.055	2	109.1520	0.003	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(CN[6]CH)	107.5340	2.130	2	107.5340	4.536	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.7553	0.810	25	108.8136	0.593	29	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	H(CN[6]CH)	109.1778	0.286	4	108.8136	0.593	29	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CH3)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	109.0967	0.208	11	109.0967	0.043	11	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.1537	0.307	16	109.1810	0.173	102	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.2027	0.256	12	109.1810	0.173	102	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	H(CN[6]CH)	109.3699	0.529	14	109.1810	0.173	102	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>}	H(CN[6]CH)	109.3710	0.000	1	109.1810	0.173	102	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	109.1360	0.437	59	109.1810	0.173	102	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(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>}	H(CN[6]CH)	109.1305	0.078	2	109.1305	0.006	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHN)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	108.8452	0.047	4	108.8452	0.002	4	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	H(CN[6]CH)	108.8580	0.270	3	108.8580	0.073	3	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,2|H<1>,2|O<2>}	H(CN[6]CH)	109.4780	0.020	2	109.4780	0.000	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	108.6344	1.096	55	108.7056	1.071	99	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.6622	0.388	22	108.7056	1.071	99	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	H(CN[6]CH)	108.6968	2.595	6	108.7056	1.071	99	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	109.0132	0.314	16	108.7056	1.071	99	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6a]C[6]H)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]C[6a]C[6]H)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	H(CN[6]CH)	108.4393	0.359	4	108.4393	0.129	4	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHO)(H)2	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	H(CN[6]CH)	108.8856	0.307	8	108.8856	0.094	8	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHP)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHP)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.1455	0.202	2	109.1455	0.041	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,4|H<1>}	H(CN[6]CH)	108.0715	0.053	2	109.0882	0.770	9	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	108.9170	0.074	2	109.0882	0.770	9	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	109.2990	0.000	1	109.0882	0.770	9	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	H(CN[6]CH)	109.6295	0.967	4	109.0882	0.770	9	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CHHS)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	H(CN[6]CH)	110.0890	0.332	2	110.0890	0.110	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[5]CH)(H)2	N[6](C[6]C[6]CC)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]CH)(H)2	N[6](C[6]C[6]CC)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	108.7853	0.129	4	108.7853	0.017	4	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.9297	0.398	6	108.7507	0.132	18	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	108.6612	0.325	12	108.7507	0.132	18	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(CN[6]CH)	109.9257	0.903	4	109.5719	0.497	8	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[5a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	109.2180	0.096	4	109.5719	0.497	8	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	109.4481	0.109	18	109.4481	0.012	18	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	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>}	H(CN[6]CH)	108.3920	0.000	1	109.0030	0.309	7	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	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>}	H(CN[6]CH)	109.1048	0.532	6	109.0030	0.309	7	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	108.3309	0.048	7	108.3309	0.002	7	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){3|C<4>}	H(CN[6]CH)	108.0146	0.109	11	108.3260	0.392	14	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6]HH)(H)2	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	H(CN[6]CH)	109.4677	0.022	3	108.3260	0.392	14	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CN[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(CN[6]CH)	109.3565	0.035	2	109.3565	0.001	2	108.8834	0.712	642	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(N[6]C[6]P[6])(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH)	H(CN[6]CH)	C(N[6]C[6]P[6])(CCHH)(H)2	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH){2|C<3>}	H(CN[6]CH)	108.5655	0.015	2	108.5655	0.000	2	108.5655	0.000	2	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH){1|C<4>,1|S<4>,3|H<1>}	H(CN[6]CH)	109.5640	0.062	2	109.5640	0.004	2	109.5640	0.004	2	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(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>}	H(CN[6]CH)	109.0208	0.096	6	109.0208	0.009	6	109.0503	0.931	45	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(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>}	H(CN[6]CH)	108.2168	0.327	4	108.9121	1.071	22	109.0503	0.931	45	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CCHH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(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>}	H(CN[6]CH)	109.0666	1.079	18	108.9121	1.071	22	109.0503	0.931	45	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CH3)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(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>}	H(CN[6]CH)	111.5135	0.047	2	111.5135	0.002	2	109.0503	0.931	45	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CH3)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]P[6,6]C[6])(CH3)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,2|P<4>}	H(CN[6]CH)	109.0877	0.255	14	109.0877	0.065	14	109.0503	0.931	45	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	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)	H(CN[6]CH)	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>}	H(CN[6]CH)	106.8180	0.000	1	106.8180	0.000	1	109.0503	0.931	45	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]OS)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]OS)2(CCHH){1|P<4>,2|C<4>}	H(CN[6]CH)	108.6990	0.227	3	108.6990	0.052	3	108.4394	0.153	5	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	P[6]-4:P[6]-4:C-4:	C-4:	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)2(CCHH)	H(CN[6]CH)	C(N[6]P[6]2)(CH3)(H)2	N[6](P[6]N[6]SeO)2(CCHH){1|P<4>,2|C<4>}	H(CN[6]CH)	108.0500	0.066	2	108.0500	0.004	2	108.4394	0.153	5	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(CCHH)(H)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CCHH)(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>}	H(CN[6]CH)	109.1760	0.000	1	109.1760	0.000	1	109.2996	0.007	5	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C-4:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]S[6])(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH)	H(CN[6]CH)	C(N[6]C[6]S[6])(CH3)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH){1|N<2>,2|C<3>}	H(CN[6]CH)	109.3305	0.052	4	109.3305	0.003	4	109.2996	0.007	5	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[3]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	H(CC[3]N[6]H)	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[3]N[6]H)	108.8537	0.237	7	108.8537	0.056	7	108.8537	0.056	7	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[5]-4:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C-4:	C(N[6]C[6]P[6])(C[5]C[5]2Fe)(H)2	N[6](C[6]C[6]HH)(P[6]O[6]NN)(CC[5]HH)	H(CC[5]N[6]H)	C(N[6]C[6]P[6])(C[5]C[5]2Fe)(H)2	N[6](C[6]C[6]HH)(P[6]O[6]NN)(CC[5]HH){1|C<4>,2|H<1>}	H(CC[5]N[6]H)	109.6975	0.090	2	109.6975	0.008	2	109.6975	0.008	2	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[5]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH)	H(CC[5]N[6]H)	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	H(CC[5]N[6]H)	109.3990	0.106	4	109.2681	0.057	10	109.2681	0.057	10	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[5]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH)	H(CC[5]N[6]H)	C(N[6]P[6,6]C[6])(C[5]C[5]2Fe)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH){2|C<4>,2|H<1>,2|P<4>}	H(CC[5]N[6]H)	109.1808	0.271	6	109.2681	0.057	10	109.2681	0.057	10	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(NNiCH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	H(CN[6]HN)	C(N[6]C[6]2)(NNiCH)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	H(CN[6]HN)	112.5030	3.605	2	112.5030	12.995	2	112.5030	12.995	2	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PCCO)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PCCO)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	H(CN[6]HP)	108.9430	0.014	2	108.9104	0.132	8	108.7834	0.237	46	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PCCO)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PCCO)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	H(CN[6]HP)	108.8995	0.428	6	108.9104	0.132	8	108.7834	0.237	46	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PCCS)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PCCS)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	H(CN[6]HP)	109.4668	0.165	5	109.4668	0.027	5	108.7834	0.237	46	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PC[6a]2O)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PC[6a]2O)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	H(CN[6]HP)	108.7443	0.617	4	108.7443	0.381	4	108.7834	0.237	46	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PCuCC)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PCuCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	H(CN[6]HP)	108.5247	0.321	15	108.5247	0.103	15	108.7834	0.237	46	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PRuCH)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PRuCH)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	H(CN[6]HP)	108.3252	0.769	4	108.3252	0.592	4	108.7834	0.237	46	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(PSeCC)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(N[6]C[6]2)(PSeCC)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	H(CN[6]HP)	108.9271	0.294	10	108.9271	0.086	10	108.7834	0.237	46	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:S-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(SO3)(H)2	N[6](C[6]C[6]HH)2(CHHS)	H(CN[6]HS)	C(N[6]C[6]2)(SO3)(H)2	N[6](C[6]C[6]HH)2(CHHS){1|N<4>,4|H<1>}	H(CN[6]HS)	109.4420	0.508	2	109.4420	0.258	2	109.4420	0.258	2	108.8697	0.715	852	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:1:1:	5:3:4:	4:	N[6]-3:C-4:H-1:H-1:	P[5,6,6]-5:P[6]-3:C-4:	C-4:	C(N[6]P[5,6,6]P[6])(CH3)(H)2	N[6](P[5,6,6]N[6,6]N[6]O[5]2)(P[6]N[6]O)(CCHH)	H(CN[6]CH)	C(N[6]P[5,6,6]P[6])(CH3)(H)2	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>}	H(CN[6]CH)	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:2:1:	4:4:4:	4:	N[6]-3:C-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(CN)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCCH)(CN)(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>}	H(CN[6]CC)	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	108.0020	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C-4:C[6]-4:C[6]-4:	C-4:	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2	H(CC[6a]C[6]N[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(N[6]C[6]2)(H)	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(CC[6a]C[6]N[6])	105.6190	0.000	1	105.6190	0.000	1	105.6190	0.000	1	106.9549	0.394	10	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:3:1:	4:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	H(CN[6]CC)	106.6705	0.600	2	106.6705	0.360	2	107.1033	0.195	9	106.9549	0.394	10	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:3:1:	4:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCCH)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCCH)(COO)(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>}	H(CN[6]CC)	106.9750	0.155	3	106.9750	0.024	3	107.1033	0.195	9	106.9549	0.394	10	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:3:1:	4:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH){1|C<3>,2|H<1>}	H(CN[6]CC)	107.8310	0.000	1	107.6540	0.063	2	107.1033	0.195	9	106.9549	0.394	10	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:3:1:	4:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	H(CN[6]CC)	107.4770	0.000	1	107.6540	0.063	2	107.1033	0.195	9	106.9549	0.394	10	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:3:1:	4:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[5a]HH)(COO)(H)	N[6](C[6]C[6]HH)2(CCCH){2|H<1>,3|C<3>}	H(CN[6]CC)	107.0240	0.000	1	107.0240	0.000	1	107.1033	0.195	9	106.9549	0.394	10	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:3:1:	4:4:4:	4:	N[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CC[6a]HH)(COO)(H)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]CC)	107.3320	0.000	1	107.3320	0.000	1	107.1033	0.195	9	106.9549	0.394	10	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	3:2:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	H(CN[6]CC)	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C-4:	C-4:	C(N[6]C[6,6a]C[6])(CH3)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6,6a]C[6])(CH3)2(H)	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>}	H(CN[6]CC)	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	107.3550	0.001	2	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|N<2>}	H(CN[6]CC)	107.3820	0.000	1	107.3820	0.000	1	107.3820	0.000	1	107.3550	0.001	2	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH){1|C<4>,2|N<3>,3|H<1>}	H(CN[6]CC)	105.2240	0.000	1	105.2240	0.000	1	105.2240	0.000	1	105.2240	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	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>}	H(CN[6]CC)	109.2060	0.000	1	109.2060	0.000	1	109.4647	0.060	3	109.4647	0.060	3	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:	C-4:	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)	H(CN[6]CC)	C(N[6]C[6]N[6])(CH3)2(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|H<1>}	H(CN[6]CC)	109.5940	0.141	2	109.5940	0.020	2	109.4647	0.060	3	109.4647	0.060	3	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(CCHS)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(CCHS)(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	H(CN[6]CC)	106.5800	0.000	1	106.5800	0.000	1	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|C<4>,4|H<1>}	H(CN[6]CC)	107.0547	0.280	3	107.0547	0.079	3	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CCHH)2(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CCHH)2(H)	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	H(CN[6]CC)	106.2980	0.000	1	106.2980	0.000	1	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]C[6,6]HH)2(CCCH){2|C<4>,3|C<3>}	H(CN[6]CC)	108.0750	0.000	1	108.0750	0.000	1	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	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>}	H(CN[6]CC)	106.3840	0.000	1	106.3840	0.000	1	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[5,6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	H(CN[6]CC)	108.8263	0.062	3	108.8263	0.004	3	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CH3)2(H)	N[6](C[6]N[6]HH)2(CCCH){1|C<4>,2|C<3>}	H(CN[6]CC)	105.6880	0.000	1	105.6880	0.000	1	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)(CH3)(H)	N[6](C[6]N[5,6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CHHO)(CH3)(H)	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	H(CN[6]CC)	107.3500	0.033	2	107.3500	0.001	2	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHO)2(H)	N[6](C[6]C[6]CC)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CHHO)2(H)	N[6](C[6]C[6]CC)2(CCCH){1|C<4>,4|H<1>}	H(CN[6]CC)	104.5880	0.201	2	104.5880	0.040	2	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(N[6]C[6]2)(CHHP)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH)	H(CN[6]CC)	C(N[6]C[6]2)(CHHP)(CH3)(H)	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	H(CN[6]CC)	106.6440	0.000	1	106.6440	0.000	1	106.9493	1.741	16	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C-4:C-4:H-1:	P[6,6]-4:C[6]-4:C-4:	C-4:	C(N[6]P[6,6]C[6])(CH3)2(H)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	H(CN[6]CC)	C(N[6]P[6,6]C[6])(CH3)2(H)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	H(CN[6]CC)	107.2370	0.000	1	107.2370	0.000	1	107.2370	0.000	1	106.9662	1.637	17	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	3:4:4:	4:	C[3]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C-4:	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH)	H(CC[3]N[6]H)	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[3]N[6]H)	108.8970	0.018	2	108.8970	0.000	2	108.8970	0.000	2	108.8970	0.000	2	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(CC[5,6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(CN[6]CH)	C(CC[5,6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|Cl<1>,2|C<3>,2|C<4>}	H(CN[6]CH)	107.5405	1.490	2	107.5870	0.279	9	107.8674	0.380	13	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(CC[5,6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(CN[6]CH)	C(CC[5,6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CCHH){1|O<2>,2|C<3>,2|C<4>}	H(CN[6]CH)	107.6003	0.039	7	107.5870	0.279	9	107.8674	0.380	13	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(CN[3x6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(CN[6]CH)	C(CN[3x6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(CN[6]CH)	108.4982	0.091	4	108.4982	0.008	4	107.8674	0.380	13	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[3]C[3]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[3]HH)	H(CC[3]N[6]H)	C(C[3]C[3]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(CC[3]HH){2|H<1>,3|C<4>}	H(CC[3]N[6]H)	108.6195	0.036	2	108.6195	0.001	2	108.6195	0.001	2	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C-4:	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	H(CC[3]N[6]H)	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	H(CC[3]N[6]H)	109.1485	0.009	2	109.1485	0.000	2	109.1485	0.000	2	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-4:C[6]-4:	C-4:	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2	H(CC[5,6,6]N[6]H)	C(C[5,6,6]C[5,6,6]C[5,6]2)(N[6]C[6]2)(H)2	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(CC[5,6,6]N[6]H)	107.9166	0.203	8	107.9166	0.041	8	107.9166	0.041	8	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5]N[6]H)	108.3080	0.014	2	108.3080	0.000	2	108.9299	0.076	44	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]2Fe)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	H(CC[5]N[6]H)	109.1043	0.085	6	109.1043	0.007	6	108.9299	0.076	44	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	H(CC[5]N[6]H)	108.8310	0.097	6	108.9273	0.066	31	108.9299	0.076	44	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	H(CC[5]N[6]H)	108.9802	0.311	19	108.9273	0.066	31	108.9299	0.076	44	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|O<2>,4|H<1>}	H(CC[5]N[6]H)	108.9065	0.034	4	108.9273	0.066	31	108.9299	0.076	44	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|S<2>,4|H<1>}	H(CC[5]N[6]H)	108.7545	0.015	2	108.9273	0.066	31	108.9299	0.076	44	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH){1|O<2>,4|H<1>}	H(CC[5]N[6]H)	108.9025	0.233	4	108.9025	0.054	4	108.9299	0.076	44	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[5]HH)	H(CC[5]N[6]H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]N[6]H)	109.3190	0.000	1	109.3190	0.000	1	108.9299	0.076	44	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]2O)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	H(CC[6]N[6]H)	108.2747	0.103	4	108.2747	0.011	4	108.6630	0.368	6	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(CC[6]N[6]H)	C(C[6]C[6]O[6]O)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	H(CC[6]N[6]H)	109.4395	0.016	2	109.4395	0.000	2	108.6630	0.368	6	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:1:1:	4:4:4:	4:	P-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(PC[6a]2Ru)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(CN[6]HP)	C(PC[6a]2Ru)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	H(CN[6]HP)	108.9137	0.629	7	108.9137	0.396	7	108.9137	0.396	7	108.6395	0.358	82	109.1283	1.076	4214	109.1249	1.065	4347
490	856	951	0:SP3_SP-NON_SP3	C	N[6]	H	4:3:3:1:	4:4:4:	4:	C[3]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(C[3]C[3]N[3]H)(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CC[3]CH)	H(CC[3]N[6]C)	C(C[3]C[3]N[3]H)(N[6]C[6]2)(CCH)(H)	N[6](C[6]C[6]HH)2(CC[3]CH){1|O<2>,4|H<1>}	H(CC[3]N[6]C)	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	109.1283	1.076	4214	109.1249	1.065	4347