466	490	952	0:SP3_SP3_SP3	C[6]	C	S	3:3:4:4:	4:1:1:1:	3:4:1:1:	C[6]-3:C[6]-3:S-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]H)2(SC[6a]OO)(CH3)	C(C[6]C[6]2S)(H)3	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]H)2(SC[6a]OO)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2S)(H)3	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	103.3250	0.000	1	103.3250	0.000	1	103.3250	0.000	1	103.3250	0.000	1	108.2859	13.170	11	108.2859	13.170	11
466	490	952	0:SP3_SP3_SP3	C[6]	C	S	3:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:S-4:	C[6]-4:S-4:S-4:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]N[6]O)2(CHSS)(SCOO)	C(C[6]C[6]2S)(SCOO)2(H)	S(C[6]C[6]2C)(CH3)(O)2	C[6](C[6]N[6]O)2(CHSS)(SCOO){1|C<3>,2|C<4>}	C(C[6]C[6]2S)(SCOO)2(H)	S(C[6]C[6]2C)(CH3)(O)2	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	108.2859	13.170	11	108.2859	13.170	11
466	490	952	0:SP3_SP3_SP3	C[6]	C	S	3:4:4:4:	4:3:1:1:	3:4:1:1:	C[6]-3:C[6]-4:S-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH)	C(C[6]C[6]2S)(CCH)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(SC[6a]OO)(CCHH){2|C<3>}	C(C[6]C[6]2S)(CCH)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	104.0610	0.000	1	104.0610	0.000	1	104.0610	0.000	1	104.0610	0.000	1	108.2859	13.170	11	108.2859	13.170	11
466	490	952	0:SP3_SP3_SP3	C[6]	C	S	4:3:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:S-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO)	C(C[6]C[6]2S)(CCH)(H)2	S(C[6]C[6]2C)(CC[6a]HH)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(CCHH)(SCOO){1|C<4>,2|C<3>}	C(C[6]C[6]2S)(CCH)(H)2	S(C[6]C[6]2C)(CC[6a]HH)(O)2	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.2859	13.170	11	108.2859	13.170	11
466	490	952	0:SP3_SP3_SP3	C[6]	C	S	4:3:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CC[5]HH){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	107.6180	0.000	2	107.6180	0.000	2	107.6180	0.000	2	108.3412	2.222	6	108.2859	13.170	11	108.2859	13.170	11
466	490	952	0:SP3_SP3_SP3	C[6]	C	S	4:3:4:4:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH)	C(C[6]C[6]2S)(CCHH)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(CCHH)(H)2	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	108.7027	1.784	4	108.7027	3.181	4	108.7027	3.181	4	108.3412	2.222	6	108.2859	13.170	11	108.2859	13.170	11
466	490	952	0:SP3_SP3_SP3	C[6]	C	S	4:4:4:4:	4:4:2:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO)	C(C[6]C[6]2S)(CCCH)(OH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)(CCHO){1|C<4>,4|H<1>}	C(C[6]C[6]2S)(CCCH)(OH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	108.2859	13.170	11	108.2859	13.170	11
466	490	956	0:SP3_SP2_SP3	C[6,6]	C	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-4:C-4:N-3:	C[6,6]-4:C-4:H-1:H-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH)	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6]N)(CF3)(H)2	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	109.5220	0.000	1	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:4:3:	4:1:1:1:	4:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO)	C(C[6]C[6,6a]2N)(H)3	N(C[6]C[6,6a]2C)(O)2	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2N)(H)3	N(C[6]C[6,6a]2C)(O)2	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)2(CCHH)(NCH)	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]H)2(CCHH)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(CCO)(H)	106.8670	0.000	1	106.8670	0.000	1	106.8670	0.000	1	106.8670	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	109.5235	0.366	2	109.5235	0.134	2	109.5235	0.134	2	110.0150	0.792	3	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:4:3:	4:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]H)2(CCHH)(NCC)	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(CCO)(COO)	C[6](C[6]C[6]H)2(CCHH)(NCC){1|C<4>,2|H<1>}	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(CCO)(COO)	110.9980	0.000	1	110.9980	0.000	1	110.9980	0.000	1	110.0150	0.792	3	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:4:3:	4:4:1:1:	4:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO)	C(C[6]C[6,6a]2N)(CCHH)(H)2	N(C[6]C[6,6a]2C)(O)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2N)(CCHH)(H)2	N(C[6]C[6,6a]2C)(O)2	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:4:3:	4:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH)	C(C[6]C[6]2N)(CH3)2(H)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH){1|C<4>,2|C<3>}	C(C[6]C[6]2N)(CH3)2(H)	N(C[6]C[6]2C)(COO)(H)	108.8185	0.725	2	108.8185	0.525	2	108.8185	0.525	2	108.8185	0.525	2	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	3:4:4:3:	4:3:1:1:	4:1:1:	C[6]-3:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO)	C(C[6]C[6]2N)(CCH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO){2|C<3>,2|H<1>}	C(C[6]C[6]2N)(CCH)(H)2	N(C[6]C[6]2C)(O)2	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:2:4:3:	4:3:2:1:	4:3:1:	C[6]-4:O[6]-2:C-4:N-3:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH)	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	N(C[6]C[6]O[6]C)(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	N(C[6]C[6]O[6]C)(COO)(H)	109.9785	0.026	4	109.9785	0.001	4	109.9785	0.001	4	109.9785	0.001	4	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	3:4:1:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(O)2	110.2170	0.119	2	110.2170	0.014	2	110.2170	0.014	2	110.2170	0.014	2	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	111.8180	0.000	1	111.8180	0.000	1	110.3001	2.450	8	110.3001	2.450	8	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	109.1690	0.915	2	109.1690	0.837	2	110.3001	2.450	8	110.3001	2.450	8	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	111.7560	0.000	1	111.7560	0.000	1	110.3001	2.450	8	110.3001	2.450	8	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	110.1130	2.933	2	110.1130	8.603	2	110.3001	2.450	8	110.3001	2.450	8	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	110.6810	0.000	1	110.6810	0.000	1	110.3001	2.450	8	110.3001	2.450	8	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH){4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	109.5820	0.000	1	109.5820	0.000	1	110.3001	2.450	8	110.3001	2.450	8	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	3:4:4:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO)	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHHN)(H)	N(C[6]C[6]2C)(O)2	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO){1|C<4>,2|C<3>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	107.2220	0.000	1	107.2220	0.000	1	107.1743	0.316	3	107.1743	0.316	3	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO){1|H<1>,5|C<3>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	107.1505	0.793	2	107.1505	0.628	2	107.1743	0.316	3	107.1743	0.316	3	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CC[6a]O)(H)	107.6880	0.000	1	107.6880	0.000	1	108.3360	0.840	2	108.3360	0.840	2	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH){1|C<4>,3|C<3>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(COO)(H)	108.9840	0.000	1	108.9840	0.000	1	108.3360	0.840	2	108.3360	0.840	2	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(NHS){2|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SC[6a]OO)(H)	104.6600	0.000	1	104.6600	0.000	1	104.6600	0.000	1	104.6600	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	4:1:1:1:	4:4:3:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CH3)(COO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CH3)(COO)	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO)	C(C[6]C[6]2N)(CCHH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO){4|C<3>}	C(C[6]C[6]2N)(CCHH)(H)2	N(C[6]C[6]2C)(O)2	108.2850	0.000	1	108.2850	0.000	1	108.2850	0.000	1	108.2850	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:3:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH)	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH){4|C<3>}	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(COO)(H)	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	111.3140	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CBrHH)(NOO)	C(C[6]C[6]2N)(Br)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2N)(Br)(H)2	N(C[6]C[6]2C)(O)2	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	C(C[6]C[6]2N)(F)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2N)(F)3	N(C[6]C[6]2C)(O)2	103.9775	0.237	4	103.9775	0.056	4	103.9775	0.056	4	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	110.1490	0.000	1	110.1490	0.000	1	107.9287	4.553	7	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	109.5820	0.000	1	109.5820	0.000	1	107.9287	4.553	7	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	109.2500	0.000	1	109.2500	0.000	1	107.9287	4.553	7	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	109.3340	0.000	1	109.3340	0.000	1	107.9287	4.553	7	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	106.5700	0.000	1	106.5700	0.000	1	107.9287	4.553	7	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CH3)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	104.8890	0.000	1	104.8890	0.000	1	107.9287	4.553	7	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(O)2	105.7270	0.000	1	105.7270	0.000	1	107.9287	4.553	7	106.6077	6.272	12	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CCO)(H)	108.8830	0.000	1	108.8830	0.000	1	108.9450	0.625	4	108.9450	0.625	4	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CCO)(H)	107.8630	0.000	1	107.8630	0.000	1	108.9450	0.625	4	108.9450	0.625	4	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CH3)(NCH)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH){1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(CC[6a]O)(H)	109.5170	0.216	2	109.5170	0.047	2	108.9450	0.625	4	108.9450	0.625	4	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS)	C(C[6]C[6,6]C[6]N)(H)3	N(C[6]C[6,6]C[6]C)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]S[6]HH)(CH3)(NHS){1|C<3>,1|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]N)(H)3	N(C[6]C[6,6]C[6]C)(SC[6a]OO)(H)	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	110.9480	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:2:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:O-2:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(CHHO)(NCH)	C(C[6]C[6]2N)(OC)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]HH)2(CHHO)(NCH){1|C<4>}	C(C[6]C[6]2N)(OC)(H)2	N(C[6]C[6]2C)(CCO)(H)	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	111.5730	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:3:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	C(C[6]C[6]2N)(CCH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	C(C[6]C[6]2N)(CCH)(H)2	N(C[6]C[6]2C)(O)2	105.7765	0.530	2	105.7765	0.281	2	105.7765	0.281	2	105.7765	0.281	2	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(CCO)(H)	110.8790	0.000	1	110.8790	0.000	1	110.1427	0.804	3	110.1427	0.804	3	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(CC[6a]O)(H)	109.1440	0.000	1	109.1440	0.000	1	110.1427	0.804	3	110.1427	0.804	3	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(COO)(H)2	N(C[6]C[6]2C)(COO)(H)	110.4050	0.000	1	110.4050	0.000	1	110.1427	0.804	3	110.1427	0.804	3	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	C(C[6]C[6]2N)(CCHH)(H)2	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2N)(CCHH)(H)2	N(C[6]C[6]2C)(O)2	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS)	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(CCHH)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]N)(CHHO)(H)2	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	108.6538	4.493	59	108.6683	4.429	60
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	2:4:4:3:	4:1:1:1:	4:4:1:	O[6]-2:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH)	C(C[6]C[6]O[6]N)(H)3	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]N)(H)3	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	3:3:3:4:	4:1:1:1:	4:4:1:	C[6]-3:C[6]-3:N-3:C-4:	C[6]-4:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3)	C(C[6]C[6]2N)(H)3	N(C[3x6]C[6,6]3)(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3){3|C<3>}	C(C[6]C[6]2N)(H)3	N(C[3x6]C[6,6]3)(C[6]C[6]2C)(H)	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	3:3:4:3:	3:4:1:1:	4:2:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO)	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(H)2	N(C[6]C[6]2C)(OH)(H)	106.5663	0.508	3	106.5663	0.258	3	106.5663	0.258	3	106.5663	0.258	3	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	3:3:4:3:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,1|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(SCO)(H)	107.2690	0.000	1	106.7125	0.619	2	106.7125	0.619	2	106.7125	0.619	2	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	3:3:4:3:	4:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(SCO)(H)	106.1560	0.000	1	106.7125	0.619	2	106.7125	0.619	2	106.7125	0.619	2	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	3:4:4:3:	4:3:1:1:	4:3:1:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	N(C[6]C[6,6a]C[6]C)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]N)(C[6a]C[6a]2)(H)2	N(C[6]C[6,6a]C[6]C)(SCO)(H)	105.7310	0.000	1	105.7310	0.000	1	105.7310	0.000	1	105.7310	0.000	1	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	4:3:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-3:H-1:H-1:	C[6]-4:S-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS)	C(C[6]C[6]2N)(CCH)(H)2	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS){1|C<4>,3|H<1>}	C(C[6]C[6]2N)(CCH)(H)2	N(C[6]C[6]2C)(SCO)(H)	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	4:3:4:3:	4:4:1:1:	4:1:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH)	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NHH){1|C<4>,3|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(H)2	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	4:3:4:3:	4:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:N-3:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH)	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH){1|C<4>,3|H<1>}	C(C[6]C[6]2N)(CH3)(H)2	N(C[6]C[6]2C)(COO)(H)	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:O-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH)	C(C[6]C[6]2N)(H)2(O)	N(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(CHHO)(NHH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(H)2(O)	N(C[6]C[6]2C)(H)2	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS)	C(C[6]C[5,6]C[6]N)(H)3	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(CH3)(NHS){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[5,6]C[6]N)(H)3	N(C[6]C[5,6]C[6]C)(SC[6a]OO)(H)	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	111.7593	1.156	3	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NHS){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SC[6a]OO)(H)	112.8250	0.000	1	112.8250	0.000	1	111.7500	2.311	2	111.7593	1.156	3	108.5050	5.769	15	108.5050	5.769	15
466	490	956	0:SP3_SP3_SP3	C[6]	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C[6]-4:C[6]-4:C-4:N-3:	C[6]-4:H-1:H-1:H-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS)	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SO3)(H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)(NHS){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2N)(H)3	N(C[6]C[6]2C)(SO3)(H)	110.6750	0.000	1	110.6750	0.000	1	111.7500	2.311	2	111.7593	1.156	3	108.5050	5.769	15	108.5050	5.769	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:3:4:1:	4:3:1:1:	4:4:1:1:	S[6]-4:C[6]-3:C-4:H-1:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H)	C(C[6]C[6]S[6]H)(NCC)(H)2	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H){1|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(NCC)(H)2	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	112.9210	0.000	1	112.9210	0.000	1	112.9210	0.000	1	112.9210	0.000	1	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:1:	4:1:1:1:	3:4:1:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]S[6]H)(H)3	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	108.1900	0.000	1	110.0570	6.971	2	110.0570	6.971	2	110.0570	6.971	2	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:1:	4:1:1:1:	3:4:1:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,1|S<2>}	C(C[6]C[6]S[6]H)(H)3	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	111.9240	0.000	1	110.0570	6.971	2	110.0570	6.971	2	110.0570	6.971	2	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H)	C(C[6]C[5,6]S[6]H)(H)3	S[6](C[6]C[5,6]CH)2(O)2	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C(C[6]C[5,6]S[6]H)(H)3	S[6](C[6]C[5,6]CH)2(O)2{1|H<1>,4|C<4>}	106.6030	0.000	1	106.6030	0.000	1	107.9495	3.626	2	108.5737	2.982	3	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H)	C(C[6]C[5,6]S[6]H)(H)3	S[6](C[6]C[5,6]CH)2(O)2	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	C(C[6]C[5,6]S[6]H)(H)3	S[6](C[6]C[5,6]CH)2(O)2{1|H<1>,4|C<4>}	109.2960	0.000	1	109.2960	0.000	1	107.9495	3.626	2	108.5737	2.982	3	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:1:	4:1:1:1:	4:4:1:1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-1:O-1:	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H)	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O)	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H){1|C<4>,2|H<1>}	C(C[6]C[6]S[6]H)(H)3	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O){1|C<4>,1|O<2>,3|H<1>}	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	108.5737	2.982	3	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(H)2	S[6](C[6]C[6]CH)2(O)2{1|C<4>,4|H<1>}	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	105.4300	0.000	1	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:1:	4:4:4:1:	3:2:4:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H)	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H){4|C<3>}	C(C[6]C[6]S[6]H)(CCHH)(CH3)(H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O){3|H<1>,5|C<3>}	112.5903	3.410	3	112.5903	11.631	3	112.5903	11.631	3	112.5903	11.631	3	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:3:	4:3:1:1:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:C-3:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO)	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]S[6]C)(C[6a]C[6a]2)(H)2	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	107.6983	0.114	3	107.6983	0.013	3	107.6983	0.013	3	107.6983	0.013	3	109.4008	7.962	15	109.4008	7.962	15
466	490	961	0:SP3_SP3_SP3	C[6]	C	S[6]	4:4:4:4:	4:1:1:1:	4:2:1:1:	C[6]-4:S[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2	C(C[6]C[6]S[6]C)(H)3	S[6](C[6]C[6]CC)(N[6]C[6])(O)2	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2{1|C<3>,2|H<1>}	C(C[6]C[6]S[6]C)(H)3	S[6](C[6]C[6]CC)(N[6]C[6])(O)2{1|C<3>,1|C<4>,2|H<1>}	107.9800	0.963	2	107.9800	0.928	2	107.9800	0.928	2	107.9800	0.928	2	109.4008	7.962	15	109.4008	7.962	15
466	490	967	0:SP3_SP3_SP3	C[6]	C	O	3:4:2:4:	4:3:4:1:	4:1:1:1:	C[6]-3:C-4:N[6]-2:O-4:	C[6]-4:C[6a]-3:N-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3)	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	O(C[6]C[6]N[6]C)(H)3	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3){1|C<4>,1|O<2>}	C(C[6]C[6]N[6]O)(C[6a]C[6a]2)(NCCH)(H)	O(C[6]C[6]N[6]C)(H)3	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1
466	490	975	0:SP3_SP3_SP3	C[6]	C	Se[6]	4:2:4:1:	4:1:1:1:	4:4:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H)	C(C[6]Se[6]C[6]H)(H)3	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]Se[6]C[6]H)(H)3	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	105.4315	0.579	2	105.4315	0.335	2	105.4315	0.335	2	105.4315	0.335	2	106.2177	1.044	4	106.2177	1.044	4
466	490	975	0:SP3_SP3_SP3	C[6]	C	Se[6]	4:2:4:1:	4:2:1:1:	4:2:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[6]-4:Se[6]-2:	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	C(C[6]Se[6]C[6]H)(OC)(H)2	Se[6](C[6]C[6]CH)(Se[6]C[6])	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]Se[6]C[6]H)(OC)(H)2	Se[6](C[6]C[6]CH)(Se[6]C[6]){1|N<3>,2|C<4>,2|H<1>}	107.0040	0.570	2	107.0040	0.325	2	107.0040	0.325	2	107.0040	0.325	2	106.2177	1.044	4	106.2177	1.044	4
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	2:3:4:2:	4:1:1:1:	4:2:	O[6]-2:C[6]-3:C-4:C-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C-2:	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC)	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(CC[6a])	C[6](O[6]C[6,6])(C[6]C[6]C)(CF3)(CC){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(CC[6a])	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	2:4:2:2:	3:4:1:1:	4:1:	O[6]-2:C-4:O[6]-2:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN)	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	C(C[6]O[6]2C)(N)	C[6](O[6]C[6,6])(CC[6a]HH)(O[6]C[6])(CN){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]O[6]2C)(H)2	C(C[6]O[6]2C)(N)	110.6153	0.944	3	110.6153	0.892	3	110.6153	0.892	3	110.6153	0.892	3	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:2:4:2:	4:1:1:1:	4:1:	N[3,6]-3:O[6]-2:C-4:C-2:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6]-4:N-1:	C[6](N[3,6]C[3,6]C[3])(O[6]C[6])(CCl3)(CN)	C(C[6]N[3,6]O[6]C)(Cl)3	C(C[6]N[3,6]O[6]C)(N)	C[6](N[3,6]C[3,6]C[3])(O[6]C[6])(CCl3)(CN){1|C<3>,1|C<4>,4|H<1>}	C(C[6]N[3,6]O[6]C)(Cl)3	C(C[6]N[3,6]O[6]C)(N)	108.1060	1.930	2	108.1060	3.726	2	108.1060	3.726	2	108.1060	3.726	2	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:2:4:2:	4:1:1:1:	4:2:	C[6,6a]-3:O[6]-2:C-4:C-2:	C[6]-4:F-1:F-1:F-1:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	C(C[6]C[6,6a]O[6]C)(F)3	C(C[6]C[6,6a]O[6]C)(CC[3])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(F)3	C(C[6]C[6,6a]O[6]C)(CC[3])	108.4740	0.358	2	108.4740	0.128	2	108.4740	0.128	2	108.4740	0.128	2	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:3:4:2:	4:1:1:1:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C(C[6]C[6,6a]N[6]C)(H)3	C(C[6]C[6,6a]N[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(H)3	C(C[6]C[6,6a]N[6]C)(N)	109.6105	0.886	2	109.6105	0.785	2	109.6105	0.785	2	109.6105	0.785	2	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:3:4:2:	4:3:1:1:	4:1:	C[5a,6]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[5a,6]N[6]C)(N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[5a,6]N[6]C)(N)	109.4570	1.370	2	109.4570	1.878	2	109.4570	1.878	2	109.4570	1.878	2	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:3:4:2:	4:3:3:1:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	C(C[6]C[6,6a]N[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CCC)(H)	C(C[6]C[6,6a]N[6]C)(N)	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	110.4950	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:3:4:2:	4:4:4:1:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6]-4:C-4:C-4:H-1:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	C(C[6]C[6,6a]N[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(CH3)2(H)	C(C[6]C[6,6a]N[6]C)(N)	110.3875	0.185	2	110.3875	0.034	2	110.3875	0.034	2	110.3875	0.034	2	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:4:4:2:	3:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CC[6a]HH)(CN){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	110.6385	0.100	2	110.6385	0.010	2	110.6257	0.291	6	110.6257	0.291	6	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:4:4:2:	3:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]HH)(CN){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	111.1865	0.042	2	111.1865	0.002	2	110.6257	0.291	6	110.6257	0.291	6	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:4:4:2:	3:4:1:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CC[6a]HH)(CN){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	110.0520	0.392	2	110.0520	0.153	2	110.6257	0.291	6	110.6257	0.291	6	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:4:4:2:	4:1:1:1:	4:1:	N[6,6]-3:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN)	C(C[6]N[6,6]C[6]C)(H)3	C(C[6]N[6,6]C[6]C)(N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(CN){3|C<4>,5|H<1>}	C(C[6]N[6,6]C[6]C)(H)3	C(C[6]N[6,6]C[6]C)(N)	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:4:4:2:	4:3:1:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(CCHH)(CN){2|C<3>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(N)	109.6160	0.000	1	109.6160	0.000	1	109.5150	0.020	2	109.5150	0.020	2	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:4:4:2:	4:3:1:1:	4:1:	C[6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN)	C(C[6]C[6]2C)(CCC)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CCHH)(CN){2|C<3>}	C(C[6]C[6]2C)(CCC)(H)2	C(C[6]C[6]2C)(N)	109.4140	0.000	1	109.4140	0.000	1	109.5150	0.020	2	109.5150	0.020	2	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	3:4:4:2:	4:4:1:1:	4:2:	C[5a,6]-3:C[6]-4:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-2:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC)	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C(C[6]C[5a,6]C[6]C)(CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CC){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)2	C(C[6]C[5a,6]C[6]C)(CC)	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	109.5670	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:2:4:2:	4:2:1:1:	4:1:	C[5,6]-4:O[6]-2:C-4:C-2:	C[6]-4:O-2:H-1:H-1:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN)	C(C[6]C[5,6]O[6]C)(OH)(H)2	C(C[6]C[5,6]O[6]C)(N)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(CHHO)(CN){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]O[6]C)(OH)(H)2	C(C[6]C[5,6]O[6]C)(N)	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:3:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-3:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:3:4:2:	3:4:3:1:	4:1:	C[6]-4:C[6]-3:C-4:C-2:	C[6a]-3:C[6]-4:N-3:H-1:	C[6]-4:N-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CC[6a]HN)(CN){2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(NCH)(H)	C(C[6]C[6]2C)(N)	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:3:4:2:	4:1:1:1:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN)	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(CN){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(N)	105.9200	0.000	1	105.9200	0.000	1	105.9200	0.000	1	105.9200	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(C[6]C[6,6]C[6]C)(N)	107.2210	0.000	1	107.6335	0.499	4	107.6335	0.499	4	106.9162	1.611	6	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:3:4:2:	4:4:1:1:	4:1:	C[6,6]-4:C[6]-3:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CCHH)(CN){3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(C[6]C[6,6]C[6]C)(N)	107.7710	0.797	3	107.6335	0.499	4	107.6335	0.499	4	106.9162	1.611	6	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(C[6]C[6]N[6]C)(N)	105.0430	0.000	1	105.0430	0.000	1	105.4815	0.385	2	106.9162	1.611	6	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:3:4:2:	4:4:1:1:	4:1:	C[6]-4:N[6]-3:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN)	C(C[6]C[6]N[6]C)(CHHS)(H)2	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CCHH)(CN){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(CHHS)(H)2	C(C[6]C[6]N[6]C)(N)	105.9200	0.000	1	105.9200	0.000	1	105.4815	0.385	2	106.9162	1.611	6	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	107.9870	0.000	1	107.9870	0.000	1	108.0693	2.631	3	108.0693	2.631	3	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]HH)(CN){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	109.7310	0.000	1	109.7310	0.000	1	108.0693	2.631	3	108.0693	2.631	3	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	3:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	106.4900	0.000	1	106.4900	0.000	1	108.0693	2.631	3	108.0693	2.631	3	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6,6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(N)	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	108.1532	0.748	10	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	107.8650	0.000	1	107.6115	0.129	2	108.2044	0.812	9	108.1532	0.748	10	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	107.3580	0.000	1	107.6115	0.129	2	108.2044	0.812	9	108.1532	0.748	10	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(CN){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	109.0250	0.000	1	109.0250	0.000	1	108.2044	0.812	9	108.1532	0.748	10	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	108.5670	0.000	1	108.6542	0.108	5	108.2044	0.812	9	108.1532	0.748	10	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CH3)(CN)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(CH3)(CN){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	108.6760	0.376	4	108.6542	0.108	5	108.2044	0.812	9	108.1532	0.748	10	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:H-1:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN)	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)(CN){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(N)	106.3210	0.000	1	106.3210	0.000	1	108.2044	0.812	9	108.1532	0.748	10	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(N)	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:4:1:1:	4:1:	C[3x6]-4:C[6]-4:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN)	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(N)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(CCHH)(CN){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[3x6]C[6]C)(CC[6]HH)(H)2	C(C[6]C[3x6]C[6]C)(N)	106.6350	0.000	2	106.6350	0.000	2	106.6350	0.000	2	106.9938	0.140	5	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[3]-4:C[6]-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN)	C(C[3]C[3]2H)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HH)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(N)	107.0040	0.000	1	107.0040	0.000	1	107.0040	0.000	1	106.9938	0.140	5	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:4:1:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(N)	107.3475	0.227	2	107.3475	0.052	2	107.3475	0.052	2	106.9938	0.140	5	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:4:2:1:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]HO)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	C(C[6]C[6]2C)(N)	104.5720	0.000	1	104.5720	0.000	1	104.5720	0.000	1	104.5720	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	983	0:SP3_SP1_SP3	C[6]	C	C	4:4:4:2:	4:4:4:2:	4:1:	C[6]-4:C[6]-4:C-4:C-2:	C[6]-4:C-4:C-4:O-2:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN)	C(C[6]C[6]2C)(CH3)2(OH)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCCO)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CH3)2(OH)	C(C[6]C[6]2C)(N)	105.7360	0.000	1	105.7360	0.000	1	105.7360	0.000	1	105.7360	0.000	1	108.4933	2.846	56	108.4933	2.846	56
466	490	992	0:SP3_SP3_SP3	C[6]	C	P	3:3:4:4:	4:1:1:1:	4:2:2:1:	C[6,6a]-3:N[6]-3:C-4:P-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	C(C[6]C[6,6a]N[6]P)(F)3	P(C[6]C[6,6a]N[6]C)(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]P)(F)3	P(C[6]C[6,6a]N[6]C)(OC)2(O)	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	112.9100	0.000	1	108.2797	12.448	7	108.2797	12.448	7
466	490	992	0:SP3_SP3_SP3	C[6]	C	P	4:4:4:4:	4:1:1:1:	3:3:4:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3)	C(C[6]C[6]2P)(H)3	P(C[6a]C[6a]2)2(C[6]C[6]2C)(O)	C[6](C[6]C[6]HH)2(PC[6a]2O)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2P)(H)3	P(C[6a]C[6a]2)2(C[6]C[6]2C)(O)	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	108.2797	12.448	7	108.2797	12.448	7
466	490	992	0:SP3_SP3_SP3	C[6]	C	P	4:4:4:4:	4:1:1:1:	3:3:4:4:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:B-4:	C[6](C[6]C[6]HH)2(PC[6a]2B)(CH3)	C(C[6]C[6]2P)(H)3	P(C[6a]C[6a]2)2(C[6]C[6]2C)(BH3)	C[6](C[6]C[6]HH)2(PC[6a]2B)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2P)(H)3	P(C[6a]C[6a]2)2(C[6]C[6]2C)(BH3)	105.5770	0.000	1	105.5770	0.000	1	105.5770	0.000	1	105.5770	0.000	1	108.2797	12.448	7	108.2797	12.448	7
466	490	992	0:SP3_SP3_SP3	C[6]	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:P-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3)	C(C[6]C[5,6]C[6]P)(H)3	P(C[6]C[5,6]C[6]C)2(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(PC[6]HH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]P)(H)3	P(C[6]C[5,6]C[6]C)2(H)2	104.5525	0.590	2	104.5525	0.349	2	104.5525	0.349	2	106.7943	7.001	4	108.2797	12.448	7	108.2797	12.448	7
466	490	992	0:SP3_SP3_SP3	C[6]	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[6]-4:C[6]-4:P-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(PC[6]HH)(CH3)	C(C[6]C[6]2P)(H)3	P(C[6]C[6]2C)2(H)2	C[6](C[6]C[6]HH)2(PC[6]HH)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2P)(H)3	P(C[6]C[6]2C)2(H)2	109.0360	0.742	2	109.0360	0.551	2	109.0360	0.551	2	106.7943	7.001	4	108.2797	12.448	7	108.2797	12.448	7
466	490	999	0:SP3_SP3_SP3	C[6]	C	N[5,6,6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	N[5,6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:H-1:	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]N[5,6,6]C[6]H)(H)3	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6]N[5,6,6]C[6]H)(H)3	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	113.8130	0.265	3	113.8130	0.070	3	113.8130	0.070	3	113.8130	0.070	3	113.8130	0.070	3	110.9461	6.712	10
466	490	999	0:SP3_SP3_SP3	C[6]	C	N[5,6]	4:4:4:1:	4:1:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H)	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]H)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)(H){1|C<4>,2|O<2>,6|H<1>}	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	109.7174	4.173	7	110.9461	6.712	10
466	490	999	0:SP3_SP3_SP3	C[6]	C	N[5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H)	C(C[6]N[5,6]C[6]H)(OC)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHHO)(H){3|C<4>,5|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,8|H<1>}	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	109.7174	4.173	7	110.9461	6.712	10
466	490	999	0:SP3_SP3_SP3	C[6]	C	N[5,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H)	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCCH)(H){3|C<4>,5|H<1>}	C(C[6]N[5,6]C[6]H)(CH3)2(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CH)(H){2|C<4>,7|H<1>}	112.3620	0.000	1	112.3620	0.000	1	112.3620	0.000	1	112.3620	0.000	1	109.7174	4.173	7	110.9461	6.712	10
466	490	999	0:SP3_SP3_SP3	C[6]	C	N[5,6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,6|H<1>}	109.0490	2.858	2	109.1295	5.210	4	109.1295	5.210	4	109.1295	5.210	4	109.7174	4.173	7	110.9461	6.712	10
466	490	999	0:SP3_SP3_SP3	C[6]	C	N[5,6]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]C)(H)3	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]CC)(H){1|C<4>,8|H<1>}	109.2100	2.727	2	109.1295	5.210	4	109.1295	5.210	4	109.1295	5.210	4	109.7174	4.173	7	110.9461	6.712	10
466	542	542	6:SP3_SP2_SP2	C[3x6]	N[5,6,6]	N[5,6,6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6,6]-3:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H){1|Nb<7>,2|C<4>,4|C<3>}	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	109.7709	2.771	13
466	542	542	6:SP3_SP2_SP2	C[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	110.4780	0.000	1	111.2877	0.470	6	109.7128	2.975	12	109.7128	2.975	12	109.7128	2.975	12	109.7709	2.771	13
466	542	542	6:SP3_SP2_SP2	C[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>}	110.3730	0.000	1	111.2877	0.470	6	109.7128	2.975	12	109.7128	2.975	12	109.7128	2.975	12	109.7709	2.771	13
466	542	542	6:SP3_SP2_SP2	C[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>}	111.8700	0.000	1	111.2877	0.470	6	109.7128	2.975	12	109.7128	2.975	12	109.7128	2.975	12	109.7709	2.771	13
466	542	542	6:SP3_SP2_SP2	C[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>}	111.7060	0.000	1	111.2877	0.470	6	109.7128	2.975	12	109.7128	2.975	12	109.7128	2.975	12	109.7709	2.771	13
466	542	542	6:SP3_SP2_SP2	C[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	111.4450	0.000	1	111.2877	0.470	6	109.7128	2.975	12	109.7128	2.975	12	109.7128	2.975	12	109.7709	2.771	13
466	542	542	6:SP3_SP2_SP2	C[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>}	111.8540	0.000	1	111.2877	0.470	6	109.7128	2.975	12	109.7128	2.975	12	109.7128	2.975	12	109.7709	2.771	13
466	542	542	6:SP3_SP2_SP2	C[6]	N[5,6]	N[5,6]	3:3:1:1:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H)	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|P<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	108.1378	0.350	6	108.1378	0.122	6	109.7128	2.975	12	109.7128	2.975	12	109.7128	2.975	12	109.7709	2.771	13
466	542	622	0:SP3_SP2_SP2	C[6,6]	N[5,6]	O[6]	3:4:2:1:	4:3:4:	4:3:	N[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-3:S[5]-4:	C[6,6]-4:C[6,6a]-3:	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)	O[6](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<1>,3|H<1>,6|C<3>}	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a]){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	108.0030	0.952	2	108.0030	0.906	2	108.0030	0.906	2	108.0030	0.906	2	108.0030	0.906	2	107.7076	2.011	5
466	542	622	0:SP3_SP2_SP2	C[6]	N[5]	O[6]	2:4:3:1:	4:4:3:	3:4:	O[6]-2:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5]H){2|C<4>,3|C<3>,3|H<1>}	106.4500	0.311	2	106.4500	0.097	2	106.4500	0.097	2	106.4500	0.097	2	107.5107	3.423	3	107.7076	2.011	5
466	542	622	0:SP3_SP2_SP2	C[6]	N[5]	O[6]	3:3:2:1:	4:4:3:	4:3:	C[6]-3:N[5]-3:O[6]-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O)	O[6](C[6]C[6]N[5]H)(C[6]C[6]C)	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O){1|H<1>,3|C<4>,4|C<3>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	107.5107	3.423	3	107.7076	2.011	5
466	542	622	0:SP3_SP2_SP3	C[6]	N[5]	O[6]	3:3:2:1:	4:4:3:	4:3:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-4:N[5]-3:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H)	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>}	112.7290	0.000	1	112.7290	0.000	1	112.7290	0.000	1	112.7290	0.000	1	107.9267	3.024	12	107.9267	3.024	12
466	542	622	0:SP3_SP2_SP3	C[6]	N[5]	O[6]	3:4:2:1:	3:4:3:	4:4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.2470	1.136	3	107.2470	1.290	3	107.2470	1.290	3	107.2470	1.290	3	107.9267	3.024	12	107.9267	3.024	12
466	542	622	0:SP3_SP2_SP3	C[6]	N[5]	O[6]	3:4:2:1:	4:3:3:	4:4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5]-3:N[5]-3:	C[6]-4:C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	107.9267	3.024	12	107.9267	3.024	12
466	542	622	0:SP3_SP2_SP3	C[6]	N[5]	O[6]	4:3:2:1:	4:3:3:	4:4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ir)(C[5]C[5]H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ir<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ir)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.1725	0.916	2	107.1725	0.839	2	107.2858	0.600	6	107.2858	0.600	6	107.9267	3.024	12	107.9267	3.024	12
466	542	622	0:SP3_SP2_SP3	C[6]	N[5]	O[6]	4:3:2:1:	4:3:3:	4:4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ni)(C[5]C[5]H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ni<4>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ni)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	106.6790	0.150	2	106.6790	0.022	2	107.2858	0.600	6	107.2858	0.600	6	107.9267	3.024	12	107.9267	3.024	12
466	542	622	0:SP3_SP2_SP3	C[6]	N[5]	O[6]	4:3:2:1:	4:3:3:	4:4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Pt)(C[5]C[5]H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Pt<6>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Pt)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.5950	0.000	1	107.5950	0.000	1	107.2858	0.600	6	107.2858	0.600	6	107.9267	3.024	12	107.9267	3.024	12
466	542	622	0:SP3_SP2_SP3	C[6]	N[5]	O[6]	4:3:2:1:	4:3:3:	4:4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Rh)(C[5]C[5]H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Rh<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Rh)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	108.4170	0.000	1	108.4170	0.000	1	107.2858	0.600	6	107.2858	0.600	6	107.9267	3.024	12	107.9267	3.024	12
466	542	622	0:SP3_SP2_SP3	C[6]	N[5]	O[6]	4:3:2:1:	4:4:4:	4:3:	C[6,6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH)	O[6](C[6]C[6,6]N[5]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6,6]N[5]H)(C[6]C[6]C){2|H<1>,4|C<4>}	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	107.9267	3.024	12	107.9267	3.024	12
466	542	622	0:SP3_SP3_SP3	C[6]	N[5]	O[6]	3:4:2:1:	4:4:4:	4:4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[6]-4:S[5]-4:	C[6]-4:C[6]-4:	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO)	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H){2|C<3>,2|O<1>,4|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO){1|C<3>,5|C<4>,5|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	107.0590	0.000	1	107.0590	0.000	1	107.0590	0.000	1	107.0590	0.000	1	108.0600	3.073	3	108.0600	3.073	3
466	542	622	0:SP3_SP3_SP3	C[6]	N[5]	O[6]	4:3:2:1:	4:4:3:	4:4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O)	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH)	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	107.0370	0.000	1	108.0600	3.073	3	108.0600	3.073	3
466	542	622	0:SP3_SP3_SP3	C[6]	N[5]	O[6]	4:3:2:1:	4:4:4:	4:4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP)	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|O<2>,1|P<4>,4|C<4>,5|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP){1|O<2>,2|C<4>,5|H<1>}	O[6](C[6]C[6]N[5]H)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<4>}	110.0840	0.000	1	110.0840	0.000	1	110.0840	0.000	1	110.0840	0.000	1	108.0600	3.073	3	108.0600	3.073	3
466	542	622	6:SP3_SP2_SP2	C[6]	N[5,6]	O[6]	3:3:2:1:	4:4:2:	3:4:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6,6a]-3:C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1
466	542	622	6:SP3_SP2_SP3	C[6,6]	N[5,6]	O[6,6]	3:2:4:1:	4:3:4:	4:4:	N[5,6]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	O[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	O[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	110.7544	0.779	12
466	542	622	6:SP3_SP2_SP3	C[6]	N[5,6]	O[6]	3:2:1:1:	4:3:4:	4:4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[4,5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH)	O[6](C[6]N[5,6]HH)2	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	110.6877	0.288	4	110.6877	0.083	4	110.6877	0.083	4	110.8565	0.119	8	110.9877	0.138	11	110.7544	0.779	12
466	542	622	6:SP3_SP2_SP3	C[6]	N[5,6]	O[6]	3:2:1:1:	4:3:4:	4:4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	O[6](C[6]N[5,6]HH)2	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	111.0252	0.343	4	111.0252	0.118	4	111.0252	0.118	4	110.8565	0.119	8	110.9877	0.138	11	110.7544	0.779	12
466	542	622	6:SP3_SP2_SP3	C[6]	N[5,6]	O[6]	3:2:1:1:	4:4:3:	4:4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O)	O[6](C[6]N[5,6]HH)2	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	111.3135	0.200	2	111.3135	0.040	2	111.3135	0.040	2	111.3377	0.022	3	110.9877	0.138	11	110.7544	0.779	12
466	542	622	6:SP3_SP2_SP3	C[6]	N[5,6]	O[6]	3:2:1:1:	4:4:3:	4:4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	O[6](C[6]N[5,6]HH)2	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	111.3377	0.022	3	110.9877	0.138	11	110.7544	0.779	12
466	542	622	6:SP3_SP3_SP3	C[6,6]	N[5,6,6]	O[6]	3:3:2:1:	4:4:3:	4:4:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:C[6]-4:	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S)	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H)	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S){1|C<4>,3|C<3>,3|H<1>}	O[6](C[6,6]N[5,6,6]C[6,6a]H)(C[6]C[5,6]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	112.6150	0.000	1	111.3612	0.646	12
466	542	622	6:SP3_SP3_SP3	C[6]	N[5,6]	O[6]	3:2:1:1:	4:3:4:	4:4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH)	O[6](C[6]N[5,6]HH)2	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	111.2972	0.250	4	111.2972	0.063	4	111.2972	0.063	4	111.3744	0.690	8	111.2472	0.539	11	111.3612	0.646	12
466	542	622	6:SP3_SP3_SP3	C[6]	N[5,6]	O[6]	3:2:1:1:	4:3:4:	4:4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	O[6](C[6]N[5,6]HH)2	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	111.4515	1.237	4	111.4515	1.531	4	111.4515	1.531	4	111.3744	0.690	8	111.2472	0.539	11	111.3612	0.646	12
466	542	622	6:SP3_SP3_SP3	C[6]	N[5,6]	O[6]	3:2:1:1:	4:4:3:	4:4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	O[6](C[6]N[5,6]HH)2	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	O[6](C[6]N[5,6]HH)2{1|C<4>,2|C<3>}	110.9080	0.209	3	110.9080	0.044	3	110.9080	0.044	3	110.9080	0.044	3	111.2472	0.539	11	111.3612	0.646	12
466	542	643	0:SP3_SP2_SP2	C[6,6]	N[5,6,6]	C[6a]	3:4:3:1:	4:4:3:	4:3:3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.1340	0.000	1	112.1340	0.000	1	112.5382	0.236	5	112.5382	0.236	5	112.7370	0.426	6	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6,6]	N[5,6,6]	C[6a]	3:4:3:1:	4:4:3:	4:3:3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.5080	0.000	1	112.6393	0.247	4	112.5382	0.236	5	112.5382	0.236	5	112.7370	0.426	6	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6,6]	N[5,6,6]	C[6a]	3:4:3:1:	4:4:3:	4:3:3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.6830	0.599	3	112.6393	0.247	4	112.5382	0.236	5	112.5382	0.236	5	112.7370	0.426	6	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6,6]	N[5,6,6]	C[6a]	4:3:3:1:	4:4:3:	4:3:3:	C[3x6]-4:N[5,6,6]-3:C[6a]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H)	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	112.7370	0.426	6	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6,6]	N[5,6]	C[6,6a]	3:3:4:1:	4:3:4:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH)	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:2:1:	4:4:2:	4:3:3:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5])	C[6a](C[6]N[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.1110	0.000	1	112.1110	0.000	1	112.1110	0.000	1	112.1110	0.000	1	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:3:4:	4:2:3:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:N[6a]-2:C[6a]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,4|C<3>}	110.8380	0.000	1	111.6490	1.315	2	111.6490	1.315	2	111.6490	1.315	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	112.4600	0.000	1	111.6490	1.315	2	111.6490	1.315	2	111.6490	1.315	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7458	0.969	6	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	109.8520	0.000	1	109.8520	0.000	1	109.8520	0.000	1	110.7458	0.969	6	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	110.7458	0.969	6	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|O<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	110.7458	0.969	6	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	110.1130	0.000	1	110.1130	0.000	1	110.4005	0.165	2	110.7458	0.969	6	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6]){3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	110.6880	0.000	1	110.6880	0.000	1	110.4005	0.165	2	110.7458	0.969	6	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){2|C<4>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	111.8700	0.000	1	111.0150	0.229	7	110.7806	1.013	10	110.7806	1.013	10	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){3|C<3>,3|C<4>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	110.8725	0.323	6	111.0150	0.229	7	110.7806	1.013	10	110.7806	1.013	10	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	112.2520	0.000	1	110.5285	5.941	2	110.7806	1.013	10	110.7806	1.013	10	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	108.8050	0.000	1	110.5285	5.941	2	110.7806	1.013	10	110.7806	1.013	10	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N){1|C<2>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	109.6440	0.000	1	109.6440	0.000	1	110.7806	1.013	10	110.7806	1.013	10	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:2:	4:3:3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	108.5490	0.006	2	108.5490	0.000	2	108.5490	0.000	2	108.5490	0.000	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:3:	4:3:3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	110.5070	0.474	3	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	110.5070	0.474	3	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	110.5070	0.474	3	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:1:	5:3:4:	4:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,4|C<3>}	112.3740	0.617	2	112.3740	0.380	2	112.3740	0.380	2	112.3740	0.380	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:3:4:	3:3:4:	4:3:2:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:4:1:	3:4:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	114.1540	0.081	2	114.1540	0.006	2	114.1540	0.006	2	110.6132	10.605	5	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:4:1:	3:4:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	108.2527	0.558	3	108.2527	0.311	3	108.2527	0.311	3	110.6132	10.605	5	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:4:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,4|C<3>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	111.8280	0.689	2	111.8280	0.474	2	111.8280	0.474	2	111.8280	0.474	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:3:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:N[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	111.6695	3.102	2	111.6695	9.623	2	111.6695	9.623	2	111.6695	9.623	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:4:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	Si[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	114.1165	0.025	2	114.1165	0.001	2	114.1165	0.001	2	114.1165	0.001	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:3:4:2:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:4:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	112.0120	1.518	4	112.0120	2.305	4	112.0120	2.305	4	112.0120	2.305	4	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:4:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,2|N<2>,4|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	112.2890	0.392	2	112.2890	0.153	2	112.2890	0.153	2	112.2890	0.153	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:4:3:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	109.9830	0.000	1	109.5250	0.420	2	109.5250	0.420	2	109.5250	0.420	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5,6]	C[6a]	3:4:3:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<4>,4|H<1>,6|C<3>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,4|C<4>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	109.0670	0.000	1	109.5250	0.420	2	109.5250	0.420	2	109.5250	0.420	2	111.1440	2.832	51	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5]	C[6,6a]	3:3:4:1:	4:3:2:	3:4:3:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:C[5]-3:P[5]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|P<2>,2|C<3>,6|H<1>}	109.1410	0.505	2	109.1410	0.255	2	109.1410	0.255	2	109.1410	0.255	2	111.0773	2.126	13	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5]	C[6,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	111.4198	1.177	5	111.4198	1.386	5	111.4198	1.386	5	111.4198	1.386	5	111.0773	2.126	13	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5]	C[6,6a]	3:4:3:1:	4:4:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	111.2000	1.568	3	111.2000	2.457	3	111.2000	2.457	3	111.2000	2.457	3	111.0773	2.126	13	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5]	C[6,6a]	3:4:3:1:	4:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	110.4740	0.000	1	110.4740	0.000	1	111.6747	2.800	3	111.6747	2.800	3	111.0773	2.126	13	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5]	C[6,6a]	3:4:3:1:	4:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	113.5860	0.000	1	113.5860	0.000	1	111.6747	2.800	3	111.6747	2.800	3	111.0773	2.126	13	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP2	C[6]	N[5]	C[6,6a]	3:4:3:1:	4:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	110.9640	0.000	1	110.9640	0.000	1	111.6747	2.800	3	111.6747	2.800	3	111.0773	2.126	13	111.2718	2.622	71
466	542	643	0:SP3_SP2_SP3	C[6,6]	N[5,6]	C[6,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH)	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	108.7825	2.149	2	108.7825	4.618	2	108.7825	4.618	2	108.7825	4.618	2	108.7825	4.618	2	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:2:1:	4:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:S[6]-2:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6])	C[6a](C[6]N[5,6]S[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:2:	4:3:3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	107.3560	1.207	2	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:2:	4:3:3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5])	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5]){2|C<4>,6|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.5790	0.000	1	106.5790	0.000	1	106.5790	0.000	1	107.3560	1.207	2	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	106.1720	0.000	1	106.1720	0.000	1	106.1720	0.000	1	106.1720	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:4:	4:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:4:	4:3:3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<3>,2|N<2>,3|C<4>,5|H<1>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	109.2310	4.078	2	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:3:1:	4:4:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	109.2310	4.078	2	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	3:4:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	107.4155	0.005	2	107.4155	0.000	2	107.4155	0.000	2	107.4155	0.000	2	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	3:4:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,3|C<2>,3|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<2>,2|C<3>,2|C<4>,2|H<1>}	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	109.5338	3.767	6	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.2050	0.000	1	107.2050	0.000	1	108.9056	1.748	5	109.5338	3.767	6	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,3|C<3>,6|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.5220	0.000	1	108.5220	0.000	1	108.9056	1.748	5	109.5338	3.767	6	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.6030	0.000	1	108.9950	0.307	2	108.9056	1.748	5	109.5338	3.767	6	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	109.3870	0.000	1	108.9950	0.307	2	108.9056	1.748	5	109.5338	3.767	6	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,7|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	110.8110	0.000	1	110.8110	0.000	1	108.9056	1.748	5	109.5338	3.767	6	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:4:2:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	113.4270	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	112.4950	0.000	1	112.4950	0.000	1	112.4950	0.000	1	112.7130	0.118	3	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	112.8220	0.406	2	112.8220	0.165	2	112.8220	0.165	2	112.7130	0.118	3	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:4:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.3400	0.000	1	112.3400	0.000	1	111.4560	0.585	4	111.4504	0.439	5	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:4:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	111.1613	0.597	3	111.1613	0.357	3	111.4560	0.585	4	111.4504	0.439	5	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:1:	4:4:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO){4|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	111.4504	0.439	5	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:2:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6a](C[6]N[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:4:	4:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C)	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	105.8700	0.000	1	105.8700	0.000	1	106.0840	0.092	2	106.0840	0.092	2	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:3:4:4:	4:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H)	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	106.2980	0.000	1	106.2980	0.000	1	106.0840	0.092	2	106.0840	0.092	2	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:4:3:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	111.3625	0.361	2	111.3625	0.131	2	111.3625	0.131	2	111.6133	0.254	3	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:4:3:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.1150	0.000	1	112.1150	0.000	1	112.1150	0.000	1	111.6133	0.254	3	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	3:4:3:1:	4:4:3:	4:3:3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	105.8230	0.000	1	105.8230	0.000	1	105.8230	0.000	1	105.8230	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5,6]	C[6a]	4:3:3:1:	4:4:4:	4:3:3:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6a](C[6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){3|C<3>,4|C<4>,7|H<1>}	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	111.7150	0.000	1	109.7790	5.467	34	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5]	C[6,6a]	3:3:2:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-4:N[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	111.8970	0.396	2	109.8380	5.304	38
466	542	643	0:SP3_SP2_SP3	C[6]	N[5]	C[6,6a]	3:3:3:1:	4:4:4:	3:4:2:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:C[5]-4:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a])	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	111.8970	0.396	2	109.8380	5.304	38
466	542	643	6:SP3_SP2_SP2	C[6,6]	N[5,3x6]	C[6,6a]	3:3:4:1:	4:4:3:	3:4:3:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5,6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H)	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	109.0650	0.000	1	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	114.8290	0.000	1	114.8290	0.000	1	112.7070	2.072	5	112.7070	2.072	5	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	110.8170	0.000	1	110.8170	0.000	1	112.7070	2.072	5	112.7070	2.072	5	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	112.9820	0.000	1	112.6297	0.098	3	112.7070	2.072	5	112.7070	2.072	5	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	112.4535	0.095	2	112.6297	0.098	3	112.7070	2.072	5	112.7070	2.072	5	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	109.7880	0.000	1	109.7880	0.000	1	109.8960	0.598	4	110.2404	0.850	8	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	108.8720	0.000	1	108.8720	0.000	1	109.8960	0.598	4	110.2404	0.850	8	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	110.2470	0.000	1	110.4620	0.092	2	109.8960	0.598	4	110.2404	0.850	8	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	110.6770	0.000	1	110.4620	0.092	2	109.8960	0.598	4	110.2404	0.850	8	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2{1|H<1>,1|N<2>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO){4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	110.2404	0.850	8	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	111.7500	0.000	1	111.0360	0.382	3	111.0360	0.382	3	110.2404	0.850	8	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	110.6790	0.008	2	111.0360	0.382	3	111.0360	0.382	3	110.2404	0.850	8	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:3:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	110.6840	0.000	1	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	112.9700	0.000	1	112.9700	0.000	1	112.9700	0.000	1	112.9700	0.000	1	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|H<1>,1|I<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	112.0375	1.398	2	112.1273	1.001	3	112.1273	1.001	3	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	112.3070	0.000	1	112.1273	1.001	3	112.1273	1.001	3	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	113.0520	0.000	1	113.0520	0.000	1	112.0180	1.163	10	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	111.6630	0.000	1	111.6630	0.000	1	112.0180	1.163	10	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.9360	0.000	1	111.9360	0.000	1	112.0180	1.163	10	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]O[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	111.8570	0.728	4	111.8570	0.531	4	112.0180	1.163	10	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	111.0680	0.000	1	111.0680	0.000	1	112.0180	1.163	10	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7600	0.000	1	110.7600	0.000	1	112.0180	1.163	10	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	114.2730	0.000	1	114.2730	0.000	1	112.0180	1.163	10	111.8899	1.291	14	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.6900	0.273	2	107.6900	0.074	2	107.6900	0.074	2	107.6900	0.074	2	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:3:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O){4|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	109.6530	0.261	2	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:3:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	110.0140	0.000	1	110.0140	0.000	1	110.0140	0.000	1	109.6530	0.261	2	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:3:1:	5:3:4:	4:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	113.2225	0.936	2	113.2225	0.875	2	113.2225	0.875	2	113.2225	0.875	2	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.5135	0.217	2	108.5135	0.047	2	108.5135	0.047	2	108.5135	0.047	2	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6a]	3:3:4:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH){3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	111.0191	3.240	40	110.9714	3.252	41
466	542	643	6:SP3_SP2_SP3	C[6,6]	N[5,6,6]	C[6,6a]	3:3:2:1:	4:4:3:	4:3:3:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S)	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:3:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH){1|Rh<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	111.5900	0.426	2	111.5900	0.181	2	111.5900	0.181	2	111.5900	0.181	2	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]HH)(C[5]O[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]HH)(C[5]O[5]O){1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	112.3170	0.000	1	112.3170	0.000	1	112.3170	0.000	1	112.3170	0.000	1	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,6|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	110.9237	13.585	3	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|F<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F){1|C<4>,2|C<3>,3|H<1>}	109.6900	0.000	1	109.6900	0.000	1	112.3790	14.461	2	110.9237	13.585	3	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	115.0680	0.000	1	115.0680	0.000	1	112.3790	14.461	2	110.9237	13.585	3	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	113.9680	0.000	1	113.9680	0.000	1	113.9680	0.000	1	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	113.4730	0.000	1	113.4730	0.000	1	112.2835	0.689	4	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	112.2310	0.000	1	111.8870	0.090	3	112.2835	0.689	4	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.6780	0.000	1	111.8870	0.090	3	112.2835	0.689	4	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.7520	0.000	1	111.8870	0.090	3	112.2835	0.689	4	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	113.9620	0.000	1	114.3480	0.117	3	114.3480	0.117	3	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.5410	0.103	2	114.3480	0.117	3	114.3480	0.117	3	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2{3|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH){2|C<4>,3|H<1>,4|C<3>}	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	112.8297	2.241	10	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{3|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	112.2450	0.000	1	112.2450	0.000	1	111.5310	0.462	3	111.7427	3.032	6	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{2|H<1>,3|C<4>,4|C<3>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	111.1740	0.400	2	111.1740	0.160	2	111.5310	0.462	3	111.7427	3.032	6	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{2|H<1>,3|C<3>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	112.8590	0.000	1	112.8590	0.000	1	112.8590	0.000	1	111.7427	3.032	6	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	108.9780	0.000	1	108.9780	0.000	1	111.5020	12.741	2	111.7427	3.032	6	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:1:1:	4:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	114.0260	0.000	1	114.0260	0.000	1	111.5020	12.741	2	111.7427	3.032	6	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:2:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	108.3980	0.000	1	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:3:1:	4:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	111.9527	3.785	27	111.7934	4.355	28
466	542	643	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6,6a]	3:3:4:1:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	111.9527	3.785	27	111.7934	4.355	28
466	542	727	0:SP3_SP2_SP2	C[6]	N[5,6]	C[5a]	3:3:3:1:	3:3:4:	4:3:2:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H)	C[5a](C[6]N[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H){1|Cd<4>,1|O<2>,2|H<1>,5|C<3>}	C[5a](C[6]N[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	110.6900	5.349	3	111.2675	4.900	4
466	542	727	0:SP3_SP2_SP2	C[6]	N[5,6]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|S<2>,4|C<3>}	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	110.6900	5.349	3	111.2675	4.900	4
466	542	727	0:SP3_SP2_SP2	C[6]	N[5,6]	C[5a]	3:3:4:1:	4:3:4:	4:3:2:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	112.6260	0.000	1	112.6260	0.000	1	112.6260	0.000	1	112.6260	0.000	1	110.6900	5.349	3	111.2675	4.900	4
466	542	727	0:SP3_SP2_SP2	C[6]	N[5]	C[5a,6]	3:3:4:1:	4:4:3:	3:3:4:	C[5a,6]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:S[5]-4:C[5]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H)	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[5]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,4|C<3>}	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[5]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	111.2675	4.900	4
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|H<1>,3|C<3>}	110.7605	0.387	4	110.7605	0.150	4	110.7605	0.150	4	110.7605	0.150	4	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:1:1:	4:4:3:	3:2:4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[5,6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,1|S<2>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[5,6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:1:1:	4:4:3:	3:3:4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	110.1410	0.385	2	110.1410	0.148	2	110.1410	0.148	2	110.1410	0.148	2	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:1:1:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.8222	0.426	4	108.8670	0.139	6	109.2446	0.609	8	109.2446	0.609	8	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:1:1:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.9565	0.354	2	108.8670	0.139	6	109.2446	0.609	8	109.2446	0.609	8	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:1:1:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	110.6470	0.000	1	110.3775	0.145	2	109.2446	0.609	8	109.2446	0.609	8	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:1:1:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	110.1080	0.000	1	110.3775	0.145	2	109.2446	0.609	8	109.2446	0.609	8	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:2:1:	4:4:3:	3:3:4:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O){2|C<3>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HO){1|C<4>,3|C<3>,3|H<1>}	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.7320	0.000	1	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:3:1:	4:4:3:	3:3:4:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH){1|H<1>,2|C<4>,3|C<3>}	107.4040	0.000	1	107.6915	0.165	2	107.6915	0.165	2	107.6915	0.165	2	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:3:1:	4:4:3:	3:3:4:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH){1|H<1>,2|C<4>,3|C<3>}	107.9790	0.000	1	107.6915	0.165	2	107.6915	0.165	2	107.6915	0.165	2	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5a,6]	3:3:3:1:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[5,6]C[6a]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[5,6]C[6a]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	104.9480	0.000	1	104.9480	0.000	1	104.9480	0.000	1	104.9480	0.000	1	109.2533	2.219	19	109.2533	2.219	19
466	542	727	6:SP3_SP2_SP3	C[6]	N[5,6]	C[5a,6]	3:3:3:1:	4:4:4:	4:3:2:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6]-4:N[5a,6]-3:N[5a]-2:	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<3>,2|N<2>,3|C<4>,5|H<1>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1
466	542	762	0:SP3_SP2_SP2	C[6,6]	N[5,6]	C[6]	4:3:3:1:	4:4:3:	4:4:1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:C[6]-4:O-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6](C[6,6]C[5,6,6]N[5,6]H)(C[6]C[5,6]HH)(O)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[5,6]H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	3:3:2:1:	4:4:3:	4:4:3:	C[6]-3:N[5]-3:O[6]-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O)	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH)	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]N[5]O[6]H)(C[6]C[6]HH)(CHH){1|C<4>,1|H<1>,2|C<3>}	115.5700	0.000	1	115.5700	0.000	1	115.5700	0.000	1	115.5700	0.000	1	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	3:3:3:1:	4:3:2:	4:3:1:	N[5]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[5]-3:N[5]-2:	C[6]-4:C[6]-3:H-1:	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H)	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|N<2>,1|N<4>,2|C<3>,2|H<1>}	110.6555	0.353	2	110.6555	0.125	2	110.6555	0.125	2	110.6555	0.125	2	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	3:4:3:1:	3:3:4:	3:4:1:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N[5]H)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H){1|H<1>,1|I<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N[5]H)(O){3|C<3>,3|C<4>,4|H<1>}	109.3692	1.001	5	109.3692	1.002	5	109.3692	1.002	5	109.3692	1.002	5	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[5]H)(O)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H){1|F<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]N[5]H)(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:2:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(O[6]C[6])(O)	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(O[6]C[6])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.5065	0.326	2	109.5065	0.106	2	109.5065	0.106	2	109.5065	0.106	2	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:F-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2F)	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F){2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2F){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.9810	0.669	4	111.9810	0.447	4	111.9810	0.447	4	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.5340	0.000	1	111.5340	0.000	1	111.4213	0.043	3	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.3650	0.257	2	111.3650	0.066	2	111.4213	0.043	3	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[4,5]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[4,5]O)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.9520	0.000	1	108.9520	0.000	1	108.6347	0.344	10	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.4050	0.000	1	107.4050	0.000	1	108.6347	0.344	10	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.2270	0.000	1	108.2270	0.000	1	108.6347	0.344	10	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	109.5350	0.000	1	108.8233	0.178	7	108.6347	0.344	10	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.7180	0.000	1	108.8233	0.178	7	108.6347	0.344	10	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.7020	0.344	5	108.8233	0.178	7	108.6347	0.344	10	109.9138	2.800	17	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<1>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.0735	0.964	4	111.0735	0.929	4	111.0735	0.929	4	111.0735	0.929	4	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	4:4:3:	4:3:1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	4:4:3:	4:3:3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	109.1370	0.516	2	109.1370	0.266	2	109.1370	0.266	2	109.1370	0.266	2	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	4:4:3:	4:4:1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	114.5720	0.000	1	114.5720	0.000	1	112.4917	2.082	4	112.4917	2.082	4	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	4:4:3:	4:4:1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.3440	0.000	1	112.3440	0.000	1	112.4917	2.082	4	112.4917	2.082	4	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP2	C[6]	N[5]	C[6]	4:3:3:1:	4:4:3:	4:4:1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	111.5255	0.168	2	111.5255	0.028	2	112.4917	2.082	4	112.4917	2.082	4	110.4905	3.385	39	110.5254	3.347	40
466	542	762	0:SP3_SP2_SP3	C[6,6]	N[5,6]	C[6]	3:3:3:1:	4:3:4:	4:3:1:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	112.2260	1.138	3	111.9938	3.830	9
466	542	762	0:SP3_SP2_SP3	C[6,6]	N[5,6]	C[6]	3:3:3:1:	4:4:4:	4:3:1:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:S[5]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H)	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO){1|H<1>,8|C<3>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	112.2260	1.138	3	111.9938	3.830	9
466	542	762	0:SP3_SP2_SP3	C[6,6]	N[5,6]	C[6]	4:3:3:1:	4:4:4:	4:3:1:	C[6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	112.2260	1.138	3	111.9938	3.830	9
466	542	762	0:SP3_SP2_SP3	C[6]	N[5]	C[6,6]	3:4:3:1:	4:4:4:	3:4:4:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]N[5]H)(C[6]O[6]CC){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	111.9938	3.830	9
466	542	762	0:SP3_SP2_SP3	C[6]	N[5]	C[6]	3:4:3:1:	4:4:4:	4:3:3:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	112.3528	5.337	5	111.9938	3.830	9
466	542	762	0:SP3_SP2_SP3	C[6]	N[5]	C[6]	4:3:3:1:	4:4:3:	4:4:1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	112.3528	5.337	5	111.9938	3.830	9
466	542	762	0:SP3_SP2_SP3	C[6]	N[5]	C[6]	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H){1|N<3>,3|C<4>,3|H<1>}	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	110.9930	0.000	1	112.3528	5.337	5	111.9938	3.830	9
466	542	762	0:SP3_SP2_SP3	C[6]	N[5]	C[6]	4:3:3:1:	4:4:4:	4:4:1:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC)	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[5,6]N[5]H)(C[6]C[5,6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	114.7545	1.376	2	112.3528	5.337	5	111.9938	3.830	9
466	542	762	0:SP3_SP2_SP3	C[6]	N[5]	C[6]	4:3:3:1:	4:4:4:	4:4:1:	C[6,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[6](C[6]C[6,6]N[5]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H){6|C<4>,8|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]N[5]H)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	114.7545	1.376	2	112.3528	5.337	5	111.9938	3.830	9
466	542	762	6:SP3_SP2_SP2	C[3x6]	N[5,6,6]	C[6,6]	3:3:3:1:	4:3:3:	4:2:1:	N[5,6,6]-3:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	C[3x6]-4:O[6,6]-2:O-1:	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	C[6,6](C[3x6]N[5,6,6]2H)(O[6,6]Nb[3,3x6])(O)	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H){1|Nb<7>,2|C<4>,4|C<3>}	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[3x6]N[5,6,6]2H)(O[6,6]Nb[3,3x6])(O){2|Cl<1>,2|N<3>,4|C<3>}	110.7895	1.660	2	110.7895	2.754	2	110.7895	2.754	2	110.7895	2.754	2	110.0332	2.011	4	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[3x6]	N[5,6,6]	C[6,6]	3:4:3:1:	4:4:3:	4:3:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	110.0332	2.011	4	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[3x6]	N[5,6,6]	C[6,6]	4:3:3:1:	4:4:3:	4:3:1:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H)	C[6,6](C[3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	110.0332	2.011	4	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6]	3:3:1:1:	3:3:4:	3:4:4:	N[5,6]-3:C[6,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]N[5,6]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	109.9445	0.172	2	109.9445	0.030	2	109.9445	0.030	2	109.9445	0.030	2	108.0535	4.961	4	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,6|C<3>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	106.6870	0.000	1	106.6870	0.000	1	106.6870	0.000	1	106.1625	0.550	2	108.0535	4.961	4	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|N<2>,2|H<1>,5|C<3>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	105.6380	0.000	1	105.6380	0.000	1	105.6380	0.000	1	106.1625	0.550	2	108.0535	4.961	4	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:1:1:	3:4:3:	3:4:1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]HH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[5,6]HH)(H){1|C<4>,4|C<3>}	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:1:1:	3:4:3:	4:3:2:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-3:O-2:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS){1|H<1>,1|N<3>,2|C<3>}	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:1:1:	3:4:3:	4:4:3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-3:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CHH){1|H<1>,1|N<3>,2|C<3>}	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:3:	3:4:3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5a,6]-3:C[6]-4:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2{1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]HH)(CHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	110.1980	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:3:	4:3:1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	110.6400	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:3:	4:4:3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:C[6]-4:C-3:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.9840	0.197	2	108.9840	0.039	2	108.9840	0.039	2	108.9840	0.039	2	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:2:1:	4:3:4:	4:3:1:	N[5,6]-3:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO)	C[6](C[6]N[5,6]HO)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO){3|C<3>,3|H<1>}	C[6](C[6]N[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	3:4:3:	3:4:3:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I){1|H<1>,1|N<3>,5|C<3>}	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6]){3|H<1>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|O<1>,6|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	108.1140	0.125	2	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|H<1>,6|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	108.3640	0.000	1	108.3640	0.000	1	108.3640	0.000	1	108.1140	0.125	2	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|S<2>,4|C<3>}	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO){1|S<2>,3|C<3>}	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	107.9168	0.280	5	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){2|C<4>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	108.3480	0.000	1	108.3480	0.000	1	107.8170	0.307	4	107.9168	0.280	5	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	107.9560	0.000	1	107.9415	0.000	2	107.8170	0.307	4	107.9168	0.280	5	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){2|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	107.9270	0.000	1	107.9415	0.000	2	107.8170	0.307	4	107.9168	0.280	5	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N){1|C<2>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	107.0370	0.000	1	107.0370	0.000	1	107.8170	0.307	4	107.9168	0.280	5	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	4:3:3:	4:3:4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:C[6]-3:C-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){3|C<3>,3|C<4>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH){4|C<3>}	109.3452	0.141	6	109.3452	0.020	6	109.3452	0.020	6	109.3452	0.020	6	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:3:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:C[6]-3:N-3:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO){1|C<4>,4|C<3>}	105.7940	0.000	1	105.7940	0.000	1	105.7940	0.000	1	105.7940	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:4:1:	3:3:4:	3:4:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O){1|C<4>,4|C<3>}	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:4:1:	3:4:4:	4:3:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6,6a]-3:Si[5]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH)	C[6](C[6]N[5,6]CH)(C[6]C[6,6a]H)(H)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6](C[6]N[5,6]CH)(C[6]C[6,6a]H)(H){1|Si<4>,2|C<3>}	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:4:1:	4:3:4:	4:3:3:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	111.5845	0.073	2	111.5845	0.005	2	111.5845	0.005	2	111.5845	0.005	2	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:4:1:	4:3:4:	4:4:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:4:1:	4:4:3:	3:4:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	112.1750	0.686	2	112.1750	0.470	2	112.1750	0.470	2	112.1750	0.470	2	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP2	C[6]	N[5,6]	C[6]	3:3:4:4:	3:4:3:	4:3:1:	N[5,6]-3:C[6]-3:C-4:C-4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:N[6]-3:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O)	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2{1|H<1>,1|N<2>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<4>}	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	110.4100	0.000	1	110.4100	0.000	1	110.4100	0.000	1	110.4100	0.000	1	109.3562	2.436	33	109.2952	2.684	41
466	542	762	6:SP3_SP2_SP3	C[3x6]	N[5,6,6]	C[6,6]	3:4:3:1:	4:4:3:	4:3:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,2|H<1>}	109.7210	0.000	1	109.7210	0.000	1	109.3270	0.310	2	109.3270	0.310	2	109.3270	0.310	2	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[3x6]	N[5,6,6]	C[6,6]	3:4:3:1:	4:4:3:	4:3:1:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	108.9330	0.000	1	108.9330	0.000	1	109.3270	0.310	2	109.3270	0.310	2	109.3270	0.310	2	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6,6]	N[5,6,6]	C[6]	3:4:3:1:	4:4:4:	4:4:1:	N[5,6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:O-1:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(O)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|S<2>,4|C<4>,4|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|O<1>,3|C<4>,9|H<1>}	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	111.5490	0.000	2	111.5490	0.000	2	111.5490	0.000	2	111.5490	0.000	2	111.5490	0.000	2	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	3:4:4:	4:3:1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>}	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	3:4:1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6]C[5,5,6]H)(C[6]N[5,6]HH)(H)	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]N[5,6]HH)(H){4|C<4>}	109.4985	0.538	2	109.4985	0.290	2	109.4985	0.290	2	109.4985	0.290	2	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	3:4:3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-3:C[6]-4:C-3:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	115.0304	0.674	15	115.0304	0.454	15	115.0304	0.454	15	115.0304	0.454	15	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	4:3:1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6]N[5,6]HH)(C[6]C[5,6]H)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[5,6]H)(H){1|C<3>,3|C<4>}	108.9490	0.769	2	108.9490	0.592	2	108.9490	0.592	2	109.7880	2.295	8	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	4:3:1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){4|C<4>}	109.7105	0.899	4	109.4858	0.859	5	110.0677	2.719	6	109.7880	2.295	8	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	4:3:1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){4|C<4>}	108.5870	0.000	1	109.4858	0.859	5	110.0677	2.719	6	109.7880	2.295	8	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	4:3:1:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6,6]H)(H){1|C<3>,3|C<4>}	112.9770	0.000	1	112.9770	0.000	1	110.0677	2.719	6	109.7880	2.295	8	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	4:4:3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-3:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|N<3>,3|H<1>,4|C<4>}	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){3|C<4>,4|H<1>}	113.2010	0.000	1	113.2010	0.000	1	113.2010	0.000	1	112.9872	5.531	13	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	4:4:3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-3:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(CCH){3|H<1>,4|C<4>}	111.6764	0.647	9	111.6764	0.418	9	112.9693	6.030	12	112.9872	5.531	13	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:1:1:	4:4:4:	4:4:3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-3:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(CCH){2|C<3>,2|C<4>,2|H<1>}	116.8480	1.184	3	116.8480	1.403	3	112.9693	6.030	12	112.9872	5.531	13	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:3:1:	4:4:3:	4:3:3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,4|H<1>,6|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:3:1:	4:4:4:	4:3:1:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	112.7930	0.000	1	112.7930	0.000	1	112.7930	0.000	1	112.7930	0.000	1	112.8620	7.070	42	112.6512	7.035	46
466	542	762	6:SP3_SP2_SP3	C[6]	N[5,6]	C[6]	3:3:4:1:	4:4:4:	4:3:1:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH)	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH){1|N<3>,2|O<1>,3|C<4>,6|H<1>}	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	116.2220	0.000	1	116.2220	0.000	1	116.2220	0.000	1	116.2220	0.000	1	112.8620	7.070	42	112.6512	7.035	46
466	542	790	0:SP3_SP-NON_SP2	C[6]	N[5,6]	Cl	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:Cl-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH)	Cl(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	Cl(C[6]N[5,6]C[6]H)	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1	110.7130	0.000	1
466	542	818	0:SP3_SP2_SP3	C[6,6]	N[5,6]	C[5,6]	3:3:4:1:	4:4:4:	4:4:3:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){2|C<3>,3|H<1>,6|C<4>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	113.2020	0.000	2	113.2020	0.000	2	113.2020	0.000	2	113.2020	0.000	2	112.0560	3.940	3	112.0560	3.940	3
466	542	818	0:SP3_SP2_SP3	C[6,6]	N[5,6]	C[5,6]	3:4:3:1:	4:4:4:	4:4:3:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|H<1>}	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	C[5,6](C[6,6]C[6,6]N[5,6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]H){4|C<4>,7|H<1>}	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	109.7640	0.000	1	112.0560	3.940	3	112.0560	3.940	3
466	542	818	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5,6]	3:3:1:1:	3:3:4:	3:4:3:	N[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:N[5]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2{1|N<3>,2|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	111.4313	2.784	3	111.4313	2.784	3
466	542	818	6:SP3_SP2_SP2	C[6]	N[5,6]	C[5,6]	3:3:1:1:	3:4:4:	3:4:2:	C[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5])	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2{2|Si<4>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5]){1|C<3>,3|C<4>,4|H<1>}	112.3935	0.120	2	112.3935	0.014	2	112.3935	0.014	2	112.3935	0.014	2	111.4313	2.784	3	111.4313	2.784	3
466	542	818	6:SP3_SP2_SP3	C[6]	N[5,6]	C[5,6]	3:3:4:4:	3:4:2:	4:4:3:	N[5,6]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H)	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1
466	542	830	0:SP3_SP-NON_SP2	C[6]	N[5]	F	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:F-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2F)	F(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F){2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2F){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	F(C[6]C[6]2N[5])	107.0438	0.779	4	107.0438	0.607	4	107.0438	0.607	4	107.0438	0.607	4	107.0438	0.607	4	107.0438	0.607	4
466	542	849	6:SP3_SP3_SP3	C[6]	N[5,6]	P[6]	3:4:3:1:	4:3:4:	4:2:4:4:	N[5,6]-3:P[6]-4:C-3:H-1:	B[5,5a]-4:N[5,6]-3:C[6]-4:	C[6]-4:O[6]-2:C-4:C-4:	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H)	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H){1|B<4>,1|P<4>,3|O<2>}	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	P[6](C[6]N[5,6]CH)(O[6]B[5a,6])(CC3)2{1|B<4>,1|N<3>,2|O<2>}	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1
466	542	854	6:SP3_SP3_SP3	C[6,6]	N[5,6]	N[6,6]	3:4:4:1:	3:4:4:	4:4:4:4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	109.3655	0.363	2	109.3655	0.132	2	109.3655	0.132	2	109.3655	0.132	2	109.3655	0.132	2	109.3655	0.132	2
466	542	856	0:SP3_SP2_SP3	C[6]	N[5]	N[6]	3:3:3:1:	4:4:4:	4:3:1:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:C[5]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH)	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1
466	542	856	6:SP3_SP2_SP2	C[3x6]	N[5,6,6]	N[6,6]	3:3:4:1:	4:4:3:	4:3:3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a])	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	109.7410	0.440	2	109.7410	0.193	2	109.7410	0.193	2	109.9040	0.176	3	109.9040	0.176	3	108.7847	3.282	11
466	542	856	6:SP3_SP2_SP2	C[3x6]	N[5,6,6]	N[6,6]	3:3:4:1:	4:4:3:	4:3:3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	109.9040	0.176	3	109.9040	0.176	3	108.7847	3.282	11
466	542	856	6:SP3_SP2_SP2	C[6,6]	N[5,6]	N[6,6]	3:3:4:1:	4:3:4:	4:4:3:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	109.3920	0.000	1	108.7847	3.282	11
466	542	856	6:SP3_SP2_SP2	C[6]	N[5,6]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H){1|Cd<4>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H){1|H<1>,1|O<2>,5|C<3>}	107.4050	0.000	1	107.4050	0.000	1	107.4050	0.000	1	107.5037	0.540	4	108.2183	4.348	7	108.7847	3.282	11
466	542	856	6:SP3_SP2_SP2	C[6]	N[5,6]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	107.5037	0.540	4	108.2183	4.348	7	108.7847	3.282	11
466	542	856	6:SP3_SP2_SP2	C[6]	N[5,6]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,6|C<3>}	108.0215	0.445	2	108.0215	0.198	2	108.0215	0.198	2	107.5037	0.540	4	108.2183	4.348	7	108.7847	3.282	11
466	542	856	6:SP3_SP2_SP2	C[6]	N[5,6]	N[6]	3:3:3:1:	4:4:2:	3:4:1:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	110.9785	0.319	2	110.9785	0.102	2	110.9785	0.102	2	110.9785	0.102	2	108.2183	4.348	7	108.7847	3.282	11
466	542	856	6:SP3_SP2_SP2	C[6]	N[5,6]	N[6]	3:3:3:4:	3:3:4:	3:4:1:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	108.2183	4.348	7	108.7847	3.282	11
466	542	856	6:SP3_SP2_SP3	C[6,6]	N[5,6]	N[6,6]	3:3:3:1:	4:3:4:	4:3:3:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH)	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	108.7097	2.210	3	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6,6]	N[5,6]	N[6,6]	3:3:3:1:	4:4:4:	4:3:3:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:S[5]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO){1|H<1>,8|C<3>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	108.7097	2.210	3	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6,6]	N[5,6]	N[6,6]	3:3:4:1:	4:3:4:	4:4:3:	N[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[6,6]-4:N-3:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|N<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	108.7097	2.210	3	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	3:4:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH){1|N<3>,2|H<1>,3|C<4>}	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,1|N<3>}	111.4650	0.000	1	111.4650	0.000	1	109.5670	7.205	2	109.5670	7.205	2	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	3:4:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH){1|N<3>,2|H<1>,3|C<4>}	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>}	107.6690	0.000	1	107.6690	0.000	1	109.5670	7.205	2	109.5670	7.205	2	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:3:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<4>,3|C<3>}	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	110.5433	0.577	4	110.5433	0.333	4	110.5433	0.333	4	110.5433	0.333	4	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	113.2875	0.586	8	113.2875	0.343	8	112.8079	2.420	17	112.8901	2.081	20	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	113.8440	0.536	4	113.8440	0.287	4	112.8079	2.420	17	112.8901	2.081	20	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CC[6a]2H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CC[6a]2H){1|C<4>,2|C<3>}	109.5430	0.427	2	109.5430	0.182	2	112.8079	2.420	17	112.8901	2.081	20	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	111.7330	2.240	2	111.7330	5.018	2	112.8079	2.420	17	112.8901	2.081	20	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	113.5060	0.000	1	113.5060	0.000	1	112.8079	2.420	17	112.8901	2.081	20	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	113.3557	0.169	3	113.3557	0.029	3	113.3557	0.029	3	112.8901	2.081	20	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:4:3:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|N<3>,2|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	112.4690	0.000	1	112.4490	0.266	4	112.8210	0.547	6	112.8210	0.547	6	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:4:3:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	112.5460	0.000	1	112.4490	0.266	4	112.8210	0.547	6	112.8210	0.547	6	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:4:3:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	112.3905	0.885	2	112.4490	0.266	4	112.8210	0.547	6	112.8210	0.547	6	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:4:3:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O)	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	113.5650	0.526	2	113.5650	0.277	2	112.8210	0.547	6	112.8210	0.547	6	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP2_SP3	C[6]	N[5,6]	N[6]	3:3:3:1:	4:4:2:	3:4:1:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	112.3750	2.693	33	112.0696	3.644	36
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CC3)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	N[6](C[6]N[5,6]HH)2(CC3){1|C<4>,2|C<3>}	111.7793	2.512	4	111.7793	6.312	4	112.6520	2.502	26	112.6603	2.408	27	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	111.4987	2.265	3	111.4987	5.131	3	112.6520	2.502	26	112.6603	2.408	27	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	113.8162	0.648	4	113.8162	0.420	4	112.6520	2.502	26	112.6603	2.408	27	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CC[6a]2H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CC[6a]2H){1|C<4>,2|C<3>}	113.8390	0.270	2	113.8390	0.073	2	112.6520	2.502	26	112.6603	2.408	27	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	111.8245	2.511	2	111.8245	6.305	2	112.6520	2.502	26	112.6603	2.408	27	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	112.3640	0.672	8	112.3640	0.451	8	112.6520	2.502	26	112.6603	2.408	27	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(CCCH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	113.9453	0.336	3	113.9453	0.113	3	112.6520	2.502	26	112.6603	2.408	27	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	112.6603	2.408	27	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:4:3:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O)	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	112.7585	0.858	2	112.7585	0.736	2	112.9117	0.299	4	112.9117	0.299	4	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:1:1:	4:4:3:	4:4:4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O)	N[6](C[6]N[5,6]HH)2(CCHH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	113.0650	0.257	2	113.0650	0.066	2	112.9117	0.299	4	112.9117	0.299	4	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:3:1:	4:3:4:	4:4:4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	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>}	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	112.3444	3.932	33	112.3444	3.932	33
466	542	856	6:SP3_SP3_SP3	C[6]	N[5,6]	N[6]	3:3:3:1:	4:4:2:	3:4:4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5]){2|C<4>,6|C<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>}	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	107.0760	0.000	1	112.3444	3.932	33	112.3444	3.932	33
466	542	887	0:SP3_SP2_SP3	C[6]	N[5,6]	S	3:4:3:1:	4:4:3:	4:4:1:	N[5,6]-3:C[6]-4:S-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:C-4:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H)	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O)	S(C[6]N[5,6]C[6]H)(CH3)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>}	S(C[6]N[5,6]C[6]H)(CH3)(O)	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1
466	542	893	0:SP3_SP2_SP3	C[6,6]	N[5,6,6]	O	3:4:4:2:	4:3:4:	4:1:	N[5,6,6]-3:C[6]-4:C[6]-4:O-2:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-4:	C[6,6]-4:H-1:	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH)	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O)	O(C[6,6]N[5,6,6]C[6]2)(H)	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	O(C[6,6]N[5,6,6]C[6]2)(H)	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6,6]	N[5,6]	O	3:4:4:2:	4:3:4:	4:1:	N[5,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:H-1:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH)	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	O(C[6,6]C[6,6]N[5,6]C[6])(H)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]N[5,6]C[6])(H)	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:3:2:1:	4:3:4:	4:1:	N[5,6]-3:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO)	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO){3|C<3>,3|H<1>}	O(C[6]N[5,6]C[6]H)(H)	112.6680	0.000	1	112.6680	0.000	1	112.6680	0.000	1	112.6680	0.000	1	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:3:2:1:	4:4:3:	4:2:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:O-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O)	O(C[6]C[5a,6]N[5,6]H)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O){2|C<3>,6|H<1>}	O(C[6]C[5a,6]N[5,6]H)(OH)	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:3:4:2:	4:3:4:	4:1:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	O(C[6]N[5,6]C[6a]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	O(C[6]N[5,6]C[6a]C[6])(H)	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:4:2:1:	3:3:4:	4:4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:C-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO)	O(C[6]N[5,6]C[6]H)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	O(C[6]N[5,6]C[6]H)(CH3)	112.1830	0.528	2	112.1830	0.278	2	112.1830	0.278	2	112.1830	0.278	2	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:4:2:1:	3:4:3:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|S<2>,2|C<3>,6|H<1>}	O(C[6]N[5,6]C[6]H)(H)	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:4:2:1:	3:4:4:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	O(C[6]N[5,6]C[6]H)(H)	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	113.0480	1.728	3	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:4:2:1:	3:4:4:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:S[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]N[5,6]C[6]H)(H)	113.8070	0.000	2	113.8070	0.000	2	113.8070	0.000	2	113.0480	1.728	3	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:4:2:1:	3:4:4:	4:4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:C-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	O(C[6]N[5,6]C[6]H)(CCHH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	O(C[6]N[5,6]C[6]H)(CCHH)	112.7990	0.000	1	112.7990	0.000	1	112.7990	0.000	1	112.7990	0.000	1	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	3:4:4:2:	3:4:4:	4:1:	N[5,6]-3:C[6]-4:C-4:O-2:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	O(C[6]N[5,6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	O(C[6]N[5,6]C[6]C)(H)	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	108.8920	0.000	1	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP2_SP3	C[6]	N[5,6]	O	4:3:2:1:	4:4:3:	4:1:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:H-1:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O)	O(C[6]C[5,5,6]N[5,6]H)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O){3|C<4>,4|H<1>}	O(C[6]C[5,5,6]N[5,6]H)(H)	106.8435	0.070	2	106.8435	0.005	2	106.8435	0.005	2	106.8435	0.005	2	110.9898	6.714	13	110.8192	6.376	15
466	542	893	0:SP3_SP3_SP3	C[6,6]	N[5,6]	O	4:3:4:2:	4:3:4:	4:1:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	O(C[6,6]C[5,6,6]N[5,6]C[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]N[5,6]C[6])(H)	105.3320	0.000	1	105.3320	0.000	1	105.3320	0.000	1	105.3320	0.000	1	105.3320	0.000	1	109.8536	10.919	8
466	542	893	0:SP3_SP3_SP3	C[6]	N[5,6]	O	3:3:2:1:	3:4:4:	4:1:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC)	O(C[6]C[6,6a]N[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[5,6]H)(H)	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	110.4996	8.845	7	109.8536	10.919	8
466	542	893	0:SP3_SP3_SP3	C[6]	N[5,6]	O	3:3:4:2:	4:3:4:	4:1:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	O(C[6]N[5,6]C[6a]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	O(C[6]N[5,6]C[6a]C[6])(H)	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	110.4996	8.845	7	109.8536	10.919	8
466	542	893	0:SP3_SP3_SP3	C[6]	N[5,6]	O	3:4:2:1:	3:4:4:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:S[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]N[5,6]C[6]H)(H)	111.6300	0.000	2	111.6300	0.000	2	111.6300	0.000	2	111.6300	0.000	2	110.4996	8.845	7	109.8536	10.919	8
466	542	893	0:SP3_SP3_SP3	C[6]	N[5,6]	O	3:4:2:1:	4:3:4:	4:1:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	O(C[6]N[5,6]C[6]H)(H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){3|H<1>,4|C<3>,4|C<4>}	O(C[6]N[5,6]C[6]H)(H)	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	110.4996	8.845	7	109.8536	10.919	8
466	542	893	0:SP3_SP3_SP3	C[6]	N[5,6]	O	3:4:2:1:	4:3:4:	4:4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	O(C[6]N[5,6]C[6]H)(CH3)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	O(C[6]N[5,6]C[6]H)(CH3)	111.5050	0.000	1	111.5050	0.000	1	111.5050	0.000	1	111.5050	0.000	1	110.4996	8.845	7	109.8536	10.919	8
466	542	893	0:SP3_SP3_SP3	C[6]	N[5,6]	O	3:4:4:2:	3:4:4:	4:1:	N[5,6]-3:C[6]-4:C-4:O-2:	C[5,6,6]-3:C[5]-4:C[6]-4:	C[6]-4:H-1:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	O(C[6]N[5,6]C[6]C)(H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	O(C[6]N[5,6]C[6]C)(H)	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	108.0680	0.000	1	110.4996	8.845	7	109.8536	10.919	8
466	542	914	6:SP3_SP2_SP3	C[6,6]	N[5,6]	N[6]	3:3:3:2:	4:3:4:	4:3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH)	N[6](C[6,6]C[6,6a]2N[5,6])(C[6]N[5a]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]2N[5,6])(C[6]N[5a]N[6]){1|C<4>,7|C<3>}	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1	108.3530	0.000	1
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH)	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH){1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	112.4620	1.288	2	112.4620	1.660	2	112.4620	1.660	2	112.4620	1.660	2	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:3:3:1:	4:4:3:	4:3:1:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:N-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	112.5770	0.000	1	113.8110	3.046	2	113.8110	3.046	2	113.8110	3.046	2	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:3:3:1:	4:4:3:	4:3:1:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:N-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	115.0450	0.000	1	113.8110	3.046	2	113.8110	3.046	2	113.8110	3.046	2	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:4:3:1:	3:4:2:	4:3:1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:C-3:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5])	C(C[6]N[5,6]C[6]H)(CHH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6]H)(CHH)(H)	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.2940	0.000	1	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C(C[6]C[6,6]N[5,6]H)(OC)(O)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6,6]N[5,6]H)(OC)(O)	109.6040	0.000	1	109.6040	0.000	1	109.6040	0.000	1	109.2175	0.299	2	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H)	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH)	C(C[6]N[5,6]C[6]H)(OC)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(O)	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	109.2175	0.299	2	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:O-2:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C(C[6]N[5,6]C[6]H)(OC)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(O)	111.1560	0.000	1	111.2927	0.268	3	111.2927	0.268	3	111.2927	0.268	3	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5,6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:O-2:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C(C[6]N[5,6]C[6]H)(OC)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(O)	111.3610	0.713	2	111.2927	0.268	3	111.2927	0.268	3	111.2927	0.268	3	111.3002	3.945	11	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5]	C	4:4:3:3:	3:3:4:	4:1:1:	C[6]-4:C[6]-4:N[5]-3:C-3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C)	C(C[6]C[6]2N[5])(H)(O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]2N[5])(H)(O)	107.7763	0.843	4	107.7288	0.545	5	107.7288	0.545	5	107.7288	0.545	5	107.7288	0.545	5	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP2	C[6]	N[5]	C	4:4:3:3:	3:3:4:	4:1:1:	C[6]-4:C[6]-4:N[5]-3:C-3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C)	C(C[6]C[6]2N[5])(H)(O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6]2N[5])(H)(O)	107.5390	0.000	1	107.7288	0.545	5	107.7288	0.545	5	107.7288	0.545	5	107.7288	0.545	5	110.1841	5.698	16
466	542	930	0:SP3_SP2_SP3	C[6]	N[5,6]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	111.7794	7.411	8	111.7794	7.411	8
466	542	930	0:SP3_SP2_SP3	C[6]	N[5,6]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C(C[6]C[6,6]N[5,6]H)(OC)(O)	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6,6]N[5,6]H)(OC)(O)	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	111.5570	4.731	2	111.7794	7.411	8	111.7794	7.411	8
466	542	930	0:SP3_SP2_SP3	C[6]	N[5,6]	C	3:4:3:1:	4:3:4:	4:2:1:	N[5,6]-3:P[6]-4:C-3:H-1:	B[5,5a]-4:N[5,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H)	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	C(C[6]N[5,6]P[6]H)(OC)(O)	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H){1|B<4>,1|P<4>,3|O<2>}	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	C(C[6]N[5,6]P[6]H)(OC)(O)	113.0950	0.000	1	113.0950	0.000	1	113.0950	0.000	1	111.5570	4.731	2	111.7794	7.411	8	111.7794	7.411	8
466	542	930	0:SP3_SP2_SP3	C[6]	N[5,6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:O-2:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H)	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	C(C[6]N[5,6]C[6]H)(OC)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(O)	112.0230	0.000	1	112.0230	0.000	1	111.7245	0.178	2	111.7245	0.178	2	111.7794	7.411	8	111.7794	7.411	8
466	542	930	0:SP3_SP2_SP3	C[6]	N[5,6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:O-2:O-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	C(C[6]N[5,6]C[6]H)(OC)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(O)	111.4260	0.000	1	111.4260	0.000	1	111.7245	0.178	2	111.7245	0.178	2	111.7794	7.411	8	111.7794	7.411	8
466	542	930	0:SP3_SP2_SP3	C[6]	N[5,6]	C	3:4:3:1:	4:4:4:	4:2:1:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	C(C[6]N[5,6]C[6]H)(OC)(O)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|H<1>}	C(C[6]N[5,6]C[6]H)(OC)(O)	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	111.7794	7.411	8	111.7794	7.411	8
466	542	930	0:SP3_SP2_SP3	C[6]	N[5,6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3,6]-4:N[5,6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:N-3:O-1:	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH)	C(C[6]C[3,6]N[5,6]H)(NCH)(O)	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H){1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C(C[6]C[3,6]N[5,6]H)(NCH)(O)	115.3075	0.903	2	115.3075	0.815	2	115.3075	0.815	2	115.3075	0.815	2	111.7794	7.411	8	111.7794	7.411	8
466	542	951	0:SP3_SP-NON_SP2	C[3x6]	N[5,6,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6,6]-3:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	C[3x6]-4:	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	H(C[3x6]N[5,6,6]2C[6,6])	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H){1|Nb<7>,2|C<4>,4|C<3>}	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[3x6]N[5,6,6]2C[6,6])	108.2430	0.035	2	108.2430	0.001	2	108.2430	0.001	2	108.2430	0.001	2	110.1111	1.936	7	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[3x6]	N[5,6,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a])	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	110.6985	0.230	2	110.6985	0.053	2	110.6985	0.053	2	110.4323	0.239	3	110.1111	1.936	7	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[3x6]	N[5,6,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5,6a]-3:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	110.4323	0.239	3	110.1111	1.936	7	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[3x6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]N[5,6,6]C[6,6]2)	111.4430	0.000	1	111.4430	0.000	1	111.4430	0.000	1	111.4430	0.000	1	110.1111	1.936	7	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[3x6]	N[5,6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H)	H(C[3x6]C[5,6,6]N[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[5,6,6]N[5,6,6]C[6,6])	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	110.1111	1.936	7	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[3x6]	N[5,6]	H	4:3:4:1:	3:3:4:	4:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	H(C[3x6]C[3x6]2N[5,6])	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	H(C[3x6]C[3x6]2N[5,6])	106.8100	0.000	2	106.8100	0.000	2	106.8100	0.000	2	106.8100	0.000	2	106.8100	0.000	2	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,3x6]	H	3:3:4:1:	4:4:3:	4:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	C[5,5,3x6]-4:C[6,6]-4:C[5,6]-3:	C[6,6]-4:	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O)	H(C[6,6]N[5,3x6]C[6,6a]C[6])	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]N[5,3x6]C[6,6a]C[6])	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[5]C[5]O)	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[5,6,6]C[3x6]H)	110.6100	0.004	2	110.6100	0.000	2	110.6100	0.000	2	110.6100	0.000	2	109.0159	0.934	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	108.4870	0.000	1	108.4870	0.000	1	108.5650	0.023	5	108.5650	0.023	5	109.0159	0.934	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	108.7800	0.000	1	108.5845	0.028	4	108.5650	0.023	5	108.5650	0.023	5	109.0159	0.934	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	108.5193	0.126	3	108.5845	0.028	4	108.5650	0.023	5	108.5650	0.023	5	109.0159	0.934	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H)	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H)	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H){1|O<2>,2|N<3>,3|C<4>,3|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H){3|C<4>,9|H<1>}	H(C[6,6]N[5,6,6]C[6]2)	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.5860	0.000	1	109.0159	0.934	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6,6]-3:C[3x6]-4:C[3]-4:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[3]H)(C[5]C[5]O)	H(C[6,6]N[5,6,6]C[3x6]C[3])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[3]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]N[5,6,6]C[3x6]C[3])	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	109.0159	0.934	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6,6]	H	4:3:3:1:	4:4:3:	4:	C[3x6]-4:N[5,6,6]-3:C[6a]-3:H-1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H)	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	109.0159	0.934	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6]	H	3:2:4:1:	4:3:4:	4:	N[5,6]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[6,6]N[5,6]O[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]N[5,6]O[6,6]C[6])	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.5784	2.517	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH)	H(C[6,6]C[6,6a]C[6,6]N[5,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[5,6])	110.2250	0.000	1	110.2250	0.000	1	110.2250	0.000	1	109.2417	0.733	3	108.5784	2.517	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|N<3>,3|C<4>,4|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	109.2417	0.733	3	108.5784	2.517	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	109.2417	0.733	3	108.5784	2.517	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6]	H	3:4:2:1:	4:3:4:	4:	N[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[5,6]-3:S[5]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)	H(C[6,6]C[6,6]N[5,6]O[6])	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<1>,3|H<1>,6|C<3>}	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[5,6]O[6])	109.3675	0.346	2	109.3675	0.120	2	109.3675	0.120	2	109.3675	0.120	2	108.5784	2.517	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6]	H	3:4:4:1:	4:3:3:	4:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5])	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5]){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	106.7860	2.176	2	106.7860	4.737	2	106.7860	4.737	2	106.7860	4.737	2	108.5784	2.517	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]O)	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]O){2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	106.7060	0.000	1	108.5784	2.517	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)	H(C[6,6]C[5,6,6]N[5,6]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]N[5,6]C[6])	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	108.5784	2.517	10	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[5,6a]-3:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H){1|Rh<6>,1|H<1>,1|N<3>,8|C<3>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N[5])	105.6060	1.921	2	105.6060	3.688	2	105.6060	3.688	2	106.3845	2.045	4	106.7804	1.395	7	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[5]-3:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5,6a]O)2	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5,6a]O)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	107.1630	0.151	2	107.1630	0.023	2	107.1630	0.023	2	106.3845	2.045	4	106.7804	1.395	7	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6,6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[5]-4:C[5]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	107.3083	0.621	3	107.3083	0.386	3	107.3083	0.386	3	107.3083	0.386	3	106.7804	1.395	7	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH){2|H<1>,3|C<3>,4|C<4>}	H(C[6]N[5,6,6]C[6]H)	109.9610	0.021	2	109.9610	0.000	2	109.9610	0.000	2	109.8140	0.029	4	109.8140	0.029	4	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6,6]C[6]H)	109.6670	0.017	2	109.6670	0.000	2	109.6670	0.000	2	109.8140	0.029	4	109.8140	0.029	4	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:2:1:1:	3:3:4:	4:	N[5,6]-3:S[6]-2:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH)	H(C[6]N[5,6]S[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2{1|N<2>,2|C<3>,2|N<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]S[6]H)	109.4900	0.006	2	109.4900	0.000	2	109.4900	0.000	2	109.4900	0.000	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:2:1:1:	4:3:4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[4,5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]N[5,6]O[6]H)	109.5013	0.065	7	109.5013	0.004	7	109.5013	0.004	7	109.4560	0.008	14	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:2:1:1:	4:3:4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	H(C[6]N[5,6]O[6]H)	109.4107	0.096	7	109.4107	0.009	7	109.4107	0.009	7	109.4560	0.008	14	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:2:1:1:	4:4:3:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]O[6]H)	109.3770	0.052	3	109.3770	0.003	3	109.3770	0.003	3	109.3490	0.003	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:2:1:1:	4:4:3:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5,6]O[6]H)	109.3070	0.020	2	109.3070	0.000	2	109.3070	0.000	2	109.3490	0.003	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.8210	0.017	2	109.8210	0.000	2	109.8210	0.000	2	109.7502	0.005	8	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:3:4:	4:	N[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH)	H(C[6]C[5,6]N[5,6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2{1|N<3>,2|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.7780	0.040	2	109.7780	0.002	2	109.7780	0.002	2	109.7502	0.005	8	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:3:4:	4:	N[5,6]-3:C[6,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]N[5,6]H)	109.7010	0.058	4	109.7010	0.003	4	109.7010	0.003	4	109.7502	0.005	8	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,4|C<3>}	H(C[6]C[5a,6]N[5,6]H)	109.4840	0.088	6	109.4840	0.008	6	109.4840	0.008	6	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.5305	0.019	2	108.5305	0.000	2	109.0219	0.107	9	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.4425	0.006	2	109.4425	0.000	2	109.0219	0.107	9	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.9845	0.005	2	109.0502	0.004	5	109.0219	0.107	9	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.0940	0.018	3	109.0502	0.004	5	109.0219	0.107	9	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	110.0215	0.056	2	110.0215	0.003	2	110.0215	0.003	2	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	107.0570	2.144	2	107.0570	4.597	2	108.4935	7.053	4	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9300	2.882	2	109.9300	8.307	2	108.4935	7.053	4	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6]N[5,6]2H)	109.5563	0.014	3	109.3717	0.026	17	109.7358	0.144	35	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>}	H(C[6]N[5,6]2H)	109.5877	0.094	3	109.3717	0.026	17	109.7358	0.144	35	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5,6]2H)	109.2250	0.028	4	109.3717	0.026	17	109.7358	0.144	35	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>}	H(C[6]N[5,6]2H)	109.2750	0.023	3	109.3717	0.026	17	109.7358	0.144	35	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	H(C[6]N[5,6]2H)	109.3335	0.026	2	109.3717	0.026	17	109.7358	0.144	35	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>}	H(C[6]N[5,6]2H)	109.2475	0.021	2	109.3717	0.026	17	109.7358	0.144	35	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:3:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|P<2>,2|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[5,6]2H)	110.0797	0.077	18	110.0797	0.006	18	109.7358	0.144	35	109.5156	0.646	56	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[5,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2{2|Si<4>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.1103	0.050	4	109.1103	0.002	4	109.1103	0.002	4	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC){2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.7080	0.000	1	109.7080	0.000	1	109.0387	1.504	7	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH){2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.9205	0.022	2	109.9205	0.000	2	109.0387	1.504	7	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.6040	0.010	2	108.4305	1.848	4	109.0387	1.504	7	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	107.2570	0.187	2	108.4305	1.848	4	109.0387	1.504	7	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:S[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2{1|H<1>,1|N<2>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO){4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.8565	0.005	2	109.8565	0.000	2	109.8565	0.000	2	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.2605	0.012	2	109.4363	0.020	6	109.4363	0.020	6	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.5242	0.043	4	109.4363	0.020	6	109.4363	0.020	6	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH){1|N<3>,2|H<1>,3|C<4>}	H(C[6]N[5,6]N[6]H)	109.7680	0.474	4	109.7680	0.225	4	109.7680	0.225	4	109.3528	0.544	23	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.1030	0.948	2	108.1030	0.898	2	108.1030	0.898	2	108.9431	0.184	34	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	H(C[6]N[5,6]N[6]H)	108.8995	0.050	6	108.8995	0.003	6	108.9956	0.118	32	108.9431	0.184	34	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	H(C[6]N[5,6]N[6]H)	108.9022	0.123	12	108.9022	0.015	12	108.9956	0.118	32	108.9431	0.184	34	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	H(C[6]N[5,6]N[6]H)	109.1386	0.503	13	109.1386	0.253	13	108.9956	0.118	32	108.9431	0.184	34	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]N[5,6]N[6]H)	108.8320	0.000	1	108.8320	0.000	1	108.9956	0.118	32	108.9431	0.184	34	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]N[5,6]H)	109.8949	0.095	7	110.0262	0.274	15	109.9482	0.216	21	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[6]C[5a,6]N[5,6]H)	109.5025	0.023	2	110.0262	0.274	15	109.9482	0.216	21	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]N[5,6]H)	109.9020	0.073	4	110.0262	0.274	15	109.9482	0.216	21	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]N[5,6]H)	111.2580	0.010	2	110.0262	0.274	15	109.9482	0.216	21	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,1|S<2>,5|H<1>}	H(C[6]C[5a,6]N[5,6]H)	109.9740	0.008	2	109.9740	0.000	2	109.9482	0.216	21	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[6]C[5a,6]N[5,6]H)	109.6430	0.083	4	109.6430	0.007	4	109.9482	0.216	21	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	111.2420	1.715	2	111.2420	2.943	2	111.2420	2.943	2	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|H<1>,1|I<1>,6|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.2350	0.276	4	109.2065	0.048	6	109.2065	0.048	6	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.1495	0.025	2	109.2065	0.048	6	109.2065	0.048	6	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	108.9835	0.018	2	108.9835	0.000	2	109.0924	0.164	19	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.2730	0.000	1	109.2730	0.000	1	109.0924	0.164	19	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.2075	0.029	2	109.2075	0.001	2	109.0924	0.164	19	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.3175	0.728	2	108.3175	0.529	2	109.0924	0.164	19	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]O[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]O[5]O){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.2350	0.148	7	109.2350	0.022	7	109.0924	0.164	19	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.5425	0.018	2	109.4937	0.007	3	109.0924	0.164	19	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.3960	0.000	1	109.4937	0.007	3	109.0924	0.164	19	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.6700	0.038	2	108.6700	0.001	2	109.0924	0.164	19	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.8828	0.060	4	109.8828	0.004	4	109.8828	0.004	4	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.5110	0.008	2	109.5110	0.000	2	109.5632	0.004	4	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2{1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]N[5,6]C[6]H)	109.6155	0.033	2	109.6155	0.001	2	109.5632	0.004	4	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|N<3>,2|C<4>,4|C<3>}	H(C[6]N[5,6]N[6]H)	109.0690	0.025	2	109.1039	0.008	8	109.0216	0.022	12	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	H(C[6]N[5,6]N[6]H)	109.0845	0.032	2	109.1039	0.008	8	109.0216	0.022	12	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]N[5,6]N[6]H)	109.1310	0.129	4	109.1039	0.008	8	109.0216	0.022	12	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]N[5,6]N[6]H)	108.8570	0.088	4	108.8570	0.008	4	109.0216	0.022	12	109.4917	0.418	68	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:2:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:O-2:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO){3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]O)	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	106.9810	0.000	1	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:2:1:	4:4:2:	4:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5])	H(C[6]N[5,6]C[6a]O[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]O[6])	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:2:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[6]C[5a,6]N[5,6]O)	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.4165	0.291	2	108.4165	0.084	2	108.4165	0.084	2	108.1243	0.201	6	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:3:4:	4:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H)	H(C[6]N[5,6]C[5a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H){1|Cd<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]N[5,6]C[5a]N[6])	108.4770	0.000	1	108.4770	0.000	1	108.4770	0.000	1	108.1243	0.201	6	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:3:4:	4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]N[6])	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	108.1243	0.201	6	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:3:4:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	H(C[6]N[5,6]C[6a]N[6])	107.5785	0.066	2	107.5785	0.004	2	107.5785	0.004	2	108.1243	0.201	6	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.7113	0.295	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	H(C[6]C[6,6]N[5,6]C[6a])	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,6|C<3>}	H(C[6]C[6,6]N[5,6]C[6a])	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	108.7113	0.295	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	H(C[6]C[6,6]N[5,6]C[6a])	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]N[5,6]C[6a])	109.3010	0.000	1	109.3010	0.000	1	109.3010	0.000	1	108.7113	0.295	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H){2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.0600	0.000	1	108.0600	0.000	1	108.0600	0.000	1	108.7113	0.295	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-4:C[5,6]-3:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|O<1>,6|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.7113	0.295	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|H<1>,6|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.5240	0.000	1	108.5240	0.000	1	109.0190	0.490	2	108.7113	0.295	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6]-4:C[5,6]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6]){3|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.5140	0.000	1	109.5140	0.000	1	109.0190	0.490	2	108.7113	0.295	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	H(C[6]N[5,6]C[5a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|S<2>,4|C<3>}	H(C[6]N[5,6]C[5a]C[6])	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	108.6352	0.161	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){2|C<4>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.7040	0.000	1	108.3917	0.041	7	108.5831	0.146	10	108.6352	0.161	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){3|C<3>,3|C<4>}	H(C[6]N[5,6]C[6a]C[6])	108.3397	0.163	6	108.3917	0.041	7	108.5831	0.146	10	108.6352	0.161	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8130	0.000	1	109.1080	0.174	2	108.5831	0.146	10	108.6352	0.161	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.4030	0.000	1	109.1080	0.174	2	108.5831	0.146	10	108.6352	0.161	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N){1|C<2>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8730	0.000	1	108.8730	0.000	1	108.5831	0.146	10	108.6352	0.161	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:4:2:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]N[6])	107.9275	0.012	2	107.9275	0.000	2	107.9275	0.000	2	107.9275	0.000	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]N[5,6]C)	108.2410	0.000	1	107.6745	0.642	2	107.6745	0.642	2	107.8512	0.800	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	H(C[6]C[5a,6]N[5,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[5,6]C)	107.1080	0.000	1	107.6745	0.642	2	107.6745	0.642	2	107.8512	0.800	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	H(C[6]C[5a,6]N[5,6]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[5,6]C[6a])	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	107.8512	0.800	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O){4|H<1>,5|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	107.8512	0.800	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.8512	0.800	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:3:1:	5:3:4:	4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	H(C[6]C[6,6a]N[5,6]C[6a])	106.5995	0.234	2	106.5995	0.055	2	106.5995	0.055	2	106.5995	0.055	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.2715	0.177	2	108.2715	0.032	2	108.2715	0.032	2	107.9853	0.177	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	3:3:4:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]N[5,6]C[6]C)	107.4070	0.000	1	107.4070	0.000	1	107.6990	0.171	2	107.9853	0.177	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	3:3:4:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]N[5,6]C[6]C)	107.9910	0.000	1	107.9910	0.000	1	107.6990	0.171	2	107.9853	0.177	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.6280	0.119	2	108.6280	0.014	2	108.6280	0.014	2	107.6314	0.921	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[6]-4:	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	106.9670	0.423	3	106.9670	0.179	3	106.9670	0.179	3	107.6314	0.921	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	3:4:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,4|C<3>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir){2|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.9105	0.315	2	108.9105	0.099	2	108.9105	0.099	2	108.9105	0.099	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH){3|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.4890	0.000	1	108.4890	0.000	1	108.4890	0.000	1	108.5475	0.007	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6,6a]-3:Si[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH){1|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	108.6060	0.000	1	108.6060	0.000	1	108.6060	0.000	1	108.5475	0.007	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.1470	0.000	1	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.4375	0.629	2	108.4375	0.395	2	108.4375	0.395	2	108.4375	0.395	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[6]N[5,6]C[5a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[5a]C[6])	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	106.9845	1.407	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|O<1>,3|H<1>,6|C<3>}	H(C[6]N[5,6]C[6]C)	106.0215	0.258	2	106.0215	0.067	2	106.0215	0.067	2	106.9845	1.407	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	107.4760	0.000	1	107.4760	0.000	1	107.4760	0.000	1	106.9845	1.407	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	4:4:2:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	Si[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.1025	0.069	2	108.1025	0.005	2	108.1025	0.005	2	108.1025	0.005	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	H(C[6]N[5,6]C[6]C)	105.0520	1.563	2	105.0520	2.442	2	105.0520	2.442	2	105.6853	2.424	3	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	106.9520	0.000	1	106.9520	0.000	1	106.9520	0.000	1	105.6853	2.424	3	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:Cl-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH)	H(C[6]N[5,6]C[6]Cl)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]N[5,6]C[6]Cl)	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-3:As[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH){1|N<3>,1|P<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8220	0.018	3	109.8220	0.000	3	109.8220	0.000	3	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-3:P[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH){1|As<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.0625	0.092	4	110.0625	0.008	4	110.0625	0.008	4	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	108.3810	1.980	2	108.3810	3.920	2	109.7478	0.787	12	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.0010	0.021	2	110.0010	0.000	2	109.7478	0.787	12	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH){3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.2755	0.018	2	110.2755	0.000	2	109.7478	0.787	12	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	110.0935	0.018	2	110.0935	0.000	2	109.7478	0.787	12	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2{1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.8680	0.068	4	109.8680	0.005	4	109.7478	0.787	12	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH){1|Sb<5>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.1217	0.014	3	110.1217	0.000	3	110.1217	0.000	3	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.0765	0.040	2	110.0765	0.002	2	109.9116	0.022	15	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|S<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.0745	0.033	2	110.0745	0.001	2	109.9116	0.022	15	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8060	0.008	2	109.8700	0.006	4	109.9116	0.022	15	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9340	0.016	2	109.8700	0.006	4	109.9116	0.022	15	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.8417	0.154	7	109.8417	0.024	7	109.9116	0.022	15	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.1763	0.104	4	109.2157	0.040	10	109.2157	0.040	10	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.5325	0.043	2	109.2157	0.040	10	109.2157	0.040	10	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cu<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.9880	0.091	2	109.2157	0.040	10	109.2157	0.040	10	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.2055	0.090	2	109.2157	0.040	10	109.2157	0.040	10	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.3990	0.021	2	109.3990	0.000	2	109.4122	0.036	11	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cu)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Cu<2>,1|C<4>,2|C<3>,2|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cu)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.6400	0.055	2	109.6400	0.003	2	109.4122	0.036	11	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.4472	0.190	4	109.4472	0.036	4	109.4122	0.036	11	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.2223	0.117	3	109.2223	0.014	3	109.4122	0.036	11	109.6604	0.276	59	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.8255	0.057	4	109.8255	0.003	4	109.7077	0.054	7	109.7077	0.054	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5]){1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.3745	0.008	2	109.3745	0.000	2	109.7077	0.054	7	109.7077	0.054	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]N[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.9030	0.000	1	109.9030	0.000	1	109.7077	0.054	7	109.7077	0.054	7	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7655	0.006	2	109.8468	0.009	4	109.8468	0.009	4	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.9280	0.006	2	109.8468	0.009	4	109.8468	0.009	4	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.4655	0.008	2	109.4655	0.000	2	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Pt<5>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.3490	0.081	2	109.3490	0.006	2	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.8980	0.011	2	109.8980	0.000	2	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]N[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|S<2>,3|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.5240	0.018	2	109.5240	0.000	2	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.5282	0.132	6	109.5282	0.018	6	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|C<4>,1|N<3>,3|C<3>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	109.6260	0.035	2	109.6260	0.001	2	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cu<3>,2|N<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.8456	0.116	13	109.8456	0.013	13	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.3680	0.064	2	109.3680	0.004	2	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.3825	0.037	2	109.2760	0.049	9	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	108.7860	0.000	1	109.2760	0.049	9	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.4205	0.037	2	109.2760	0.049	9	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.2730	0.166	4	109.2760	0.049	9	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H){1|O<2>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.9090	0.014	2	109.9090	0.000	2	109.5935	0.075	42	109.6155	0.074	46	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<2>,2|H<1>,3|N<3>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.5597	0.148	6	109.5597	0.022	6	109.4511	0.036	18	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,2|H<1>,4|N<3>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH){1|C<3>,2|H<1>,2|N<3>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.2920	0.086	7	109.2920	0.007	7	109.4511	0.036	18	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|O<2>,2|H<1>,3|N<3>}	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.5436	0.204	5	109.5436	0.042	5	109.4511	0.036	18	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.0870	0.078	2	110.0870	0.006	2	110.0870	0.006	2	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:P[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.7010	0.017	2	109.7010	0.000	2	109.7010	0.000	2	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.8750	0.008	2	109.8750	0.000	2	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.6985	0.035	2	109.6985	0.001	2	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,7|H<1>}	H(C[6]N[5,6]C[6]H)	110.4485	0.067	2	110.0795	0.091	15	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|B<4>,1|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.9455	0.825	2	110.0795	0.091	15	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	110.1757	0.178	4	110.0795	0.091	15	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.0130	0.018	3	110.0795	0.091	15	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|P<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.8390	0.007	2	110.0795	0.091	15	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.9925	0.008	2	110.0795	0.091	15	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|Fe<6>,2|N<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.2400	0.159	6	109.2400	0.025	6	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.6665	1.552	2	109.6665	2.409	2	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|N<3>,2|H<1>}	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.9195	0.018	2	108.9195	0.000	2	109.7570	0.301	29	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:P[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]CoN)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Co<7>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]CoN)(C[6]C[6]HH){1|N<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.9267	0.044	3	109.9267	0.002	3	109.9267	0.002	3	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.5655	0.070	2	109.5655	0.005	2	109.6353	0.659	6	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.3995	1.727	2	109.6702	1.092	4	109.6353	0.659	6	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.9410	0.011	2	109.6702	1.092	4	109.6353	0.659	6	109.6707	0.237	60	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){3|H<1>,4|C<3>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.2730	0.033	2	109.2730	0.001	2	109.2730	0.001	2	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.5730	0.008	2	109.5730	0.000	2	109.5730	0.000	2	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.0170	0.021	2	110.0170	0.000	2	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.7600	0.034	2	109.7600	0.001	2	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.5170	0.035	3	109.5170	0.001	3	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.5250	0.000	1	109.5250	0.000	1	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	106.5140	1.192	2	108.3178	3.067	5	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.5203	0.016	3	108.3178	3.067	5	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.2480	0.006	2	110.2480	0.000	2	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]N[5,6]C[6]H)	110.1140	0.014	2	110.1140	0.000	2	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.9935	0.204	16	109.9935	0.042	16	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[5]C[5,5]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[5]C[5,5]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7372	0.140	6	109.7372	0.020	6	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	108.2260	1.160	2	109.5976	0.675	10	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.9742	0.054	4	109.5976	0.675	10	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9068	0.062	4	109.5976	0.675	10	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|S<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	108.5480	1.260	2	108.5480	1.588	2	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.8808	0.070	4	109.8808	0.005	4	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]Ir)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Ir<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]Ir)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.7632	0.337	4	109.7632	0.114	4	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<6>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|Co<10>,1|C<4>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	H(C[6]N[5,6]C[6]H)	110.1190	0.000	1	110.1190	0.000	1	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]Rh)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]N[5,6]Rh)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.6295	0.036	4	109.6295	0.001	4	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.6535	0.015	2	109.5750	0.009	4	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.4965	0.045	2	109.5750	0.009	4	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.8690	0.000	1	109.8690	0.000	1	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.8787	0.022	4	109.8787	0.000	4	109.6744	0.508	73	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	Ge[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|N<3>}	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>,5|C<4>}	H(C[6]N[5,6]C[6]H)	108.6350	0.078	3	108.6350	0.006	3	108.6350	0.006	3	109.6208	0.501	82	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]N[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	N[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]N[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.4975	0.028	2	109.4975	0.001	2	109.4975	0.001	2	108.7940	2.702	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]N[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	107.1175	0.639	2	107.1175	0.408	2	107.1175	0.408	2	108.7940	2.702	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	108.7940	2.702	5	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]N)	H(C[6]C[5,6]N[5,6]H)	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]N){3|C<4>,4|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.3440	0.000	1	109.3440	0.000	1	109.3440	0.000	1	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6,6]C[6]3)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6]C[5])(C[6,6]C[6]3)(H)2{2|N<3>,4|C<4>,7|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N){3|C<4>,5|H<1>}	H(C[6]C[6,6]N[5,6]H)	109.6240	0.007	2	109.6240	0.000	2	109.6240	0.000	2	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,4|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	107.9225	3.888	2	107.9225	15.120	2	107.9225	15.120	2	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	109.5710	0.011	2	109.5710	0.000	2	109.5710	0.000	2	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.9015	0.008	2	109.9550	0.007	30	109.9550	0.007	30	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.1160	0.018	2	109.9550	0.007	30	109.9550	0.007	30	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9766	0.063	20	109.9550	0.007	30	109.9550	0.007	30	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.8470	0.023	6	109.9550	0.007	30	109.9550	0.007	30	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<1>,5|C<4>}	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S){10|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	109.5225	0.026	4	109.5225	0.001	4	109.7597	0.078	20	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.8777	0.065	4	110.0411	0.033	8	109.7597	0.078	20	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.2045	0.022	4	110.0411	0.033	8	109.7597	0.078	20	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.5422	0.152	6	109.5422	0.023	6	109.7597	0.078	20	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.7605	0.009	2	109.7605	0.000	2	109.7597	0.078	20	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.0430	0.670	2	109.0430	0.449	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	109.6485	0.081	6	109.5540	0.103	12	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.6745	0.030	2	109.5540	0.103	12	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){4|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	109.3520	0.532	4	109.5540	0.103	12	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S){4|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	109.8740	0.007	2	109.8740	0.000	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.7675	0.006	2	109.7675	0.000	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6,6]C[6,6,6a]C[5,6]C)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[6,6,6a]C[5,6]C)(C[6]C[6]HH)(C[5]O[5]O){3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.9985	0.009	2	109.9985	0.000	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.8765	0.015	2	109.7700	0.049	10	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.8645	0.019	2	109.7700	0.049	10	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.3515	0.011	2	109.7700	0.049	10	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.8787	0.033	4	109.7700	0.049	10	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	110.0740	0.035	2	110.0740	0.001	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]H)	109.4625	0.005	2	109.4625	0.000	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|I<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.8570	0.025	2	108.1265	5.708	4	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){3|C<4>,9|H<1>}	H(C[6]N[5,6]C[6]H)	106.3960	2.268	2	108.1265	5.708	4	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.8522	0.023	4	109.8522	0.001	4	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.7465	0.013	2	109.7465	0.000	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.7250	0.006	2	109.7250	0.000	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]N[5,6]C[6]H)	109.8545	0.040	2	109.8545	0.002	2	109.5699	0.642	48	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.7630	0.034	2	109.4995	0.153	14	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.2955	0.739	4	109.4995	0.153	14	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.4295	0.033	2	109.4995	0.153	14	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.5365	0.062	2	109.4995	0.153	14	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.6165	0.006	2	109.4995	0.153	14	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.5600	0.016	2	109.4995	0.153	14	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.8900	0.038	2	109.8900	0.001	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7490	0.125	6	109.5780	0.027	24	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.5210	0.133	18	109.5780	0.027	24	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.4958	0.083	6	109.4958	0.007	6	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[6]C[6]HH)(C[5]C[5]C){2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	110.0975	0.018	2	110.0975	0.000	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H){2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	109.6730	0.324	3	109.6730	0.105	3	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.8585	0.022	2	109.8585	0.000	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.9165	0.021	2	109.9165	0.000	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|S<3>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9610	0.033	2	109.9610	0.001	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7030	0.032	4	109.7030	0.001	4	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.8920	0.000	1	109.8920	0.000	1	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.8280	0.034	2	109.8280	0.001	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	106.9425	1.271	2	106.9425	1.615	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.7130	0.228	3	109.7130	0.052	3	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.9154	0.126	5	109.8547	0.021	7	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.7030	0.023	2	109.8547	0.021	7	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir){2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.7570	0.044	2	109.7570	0.002	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Rh)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Rh){2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.7680	0.007	2	109.7680	0.000	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.9863	0.039	6	109.9863	0.002	6	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.7440	0.051	2	109.7440	0.003	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.6270	0.000	1	109.6270	0.000	1	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[6a]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6a]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.8560	0.000	1	109.8560	0.000	1	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	107.6110	1.242	2	107.6110	1.542	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7495	0.021	2	108.8046	2.320	5	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.1747	1.775	3	108.8046	2.320	5	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|S<4>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.0365	0.019	2	110.0365	0.000	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2{1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.6460	0.033	2	109.6460	0.001	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2{1|C<4>,1|S<1>,1|S<2>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.0763	0.059	7	110.0763	0.003	7	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.8225	0.023	2	109.8225	0.001	2	109.5946	0.423	110	109.6380	0.481	215	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:2:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]O)	109.8140	0.082	2	109.8140	0.007	2	109.8140	0.007	2	109.8140	0.007	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:2:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|S<2>,2|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]O)	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	108.3230	0.000	1	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:2:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]O)	108.9300	0.000	1	108.9300	0.000	1	109.2150	0.162	2	108.2195	1.376	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:2:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]O)	109.5000	0.000	1	109.5000	0.000	1	109.2150	0.162	2	108.2195	1.376	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:2:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:S[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]O)	107.2240	0.000	2	107.2240	0.000	2	107.2240	0.000	2	108.2195	1.376	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:N-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN)	H(C[6]N[5,6]C[6]N)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]N)	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	108.6500	0.000	1	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	3:4:2:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5])	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,2|H<1>,2|O<2>}	H(C[6]N[5,6]C[6]C)	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh){1|C<4>,2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.9670	0.545	4	107.9670	0.297	4	107.9670	0.297	4	107.9670	0.297	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[5,6]-3:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,2|N<2>,4|C<3>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N){1|N<3>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.1005	0.118	2	108.1005	0.014	2	108.1005	0.014	2	108.1005	0.014	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	H(C[6]C[6,6]N[5,6]C)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]N[5,6]C)	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	108.1170	2.194	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H)	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]C)	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	108.1170	2.194	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.0530	0.000	1	107.7275	3.514	2	107.7275	3.514	2	108.1170	2.194	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<4>,4|H<1>,6|C<3>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,4|C<4>,6|C<3>}	H(C[6]N[5,6]C[6a]C[6])	106.4020	0.000	1	107.7275	3.514	2	107.7275	3.514	2	108.1170	2.194	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]C)	106.7590	0.000	1	107.5290	0.482	3	107.5290	0.482	3	107.7442	0.506	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	H(C[6]N[5,6]C[6]C)	107.9140	0.272	2	107.5290	0.482	3	107.5290	0.482	3	107.7442	0.506	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:S-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H)	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O)	H(C[6]N[5,6]C[6]S)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]N[5,6]C[6]S)	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	107.7442	0.506	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H){1|Cl<1>,1|N<3>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	107.0625	0.042	2	107.0625	0.002	2	107.0625	0.002	2	107.0625	0.002	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[5]C[6]H)(C[5]N[5,6]Ir)	H(C[6]N[5,6]C[5]C[6])	C[6](N[5,6]C[5,6,6a]C[5])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[5]C[6]H)(C[5]N[5,6]Ir){1|Fe<10>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[5]C[6])	107.4075	0.518	2	107.4075	0.269	2	107.4075	0.269	2	107.3448	0.120	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]C)	107.4750	0.000	1	107.4750	0.000	1	107.4750	0.000	1	107.3448	0.120	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	3:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H){2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.3448	0.120	4	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	108.0737	0.483	3	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|N<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]C)	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.0737	0.483	3	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH){3|H<1>,6|C<3>}	H(C[6]N[5,6]C[6]C)	108.6990	0.000	1	108.6990	0.000	1	108.6990	0.000	1	108.0737	0.483	3	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[6]N[5,6]C[6]2)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]2)	107.3340	0.000	2	107.3340	0.000	2	107.3340	0.000	2	107.3340	0.000	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]C)	106.1940	0.000	1	106.1940	0.000	1	106.1940	0.000	1	107.4833	0.860	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	H(C[6]N[5,6]C[6]C)	108.2275	0.026	2	108.2275	0.001	2	107.9179	0.306	8	107.4833	0.860	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]C)	107.4880	0.637	3	107.4880	0.406	3	107.9179	0.306	8	107.4833	0.860	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]C)	108.3030	0.000	1	108.3030	0.000	1	107.9179	0.306	8	107.4833	0.860	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]C)	107.6180	0.000	1	107.6180	0.000	1	107.9179	0.306	8	107.4833	0.860	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]C)	108.5030	0.000	1	108.5030	0.000	1	107.9179	0.306	8	107.4833	0.860	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)	H(C[6]N[5,6]C[6]2)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]2)	106.3895	0.948	2	106.3895	0.899	2	106.3895	0.899	2	107.4833	0.860	11	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.4737	0.047	4	109.4737	0.002	4	109.4933	0.033	11	109.4252	0.408	19	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.5087	0.041	4	109.5087	0.002	4	109.4933	0.033	11	109.4252	0.408	19	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,7|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.9570	0.000	1	109.4987	0.158	3	109.4933	0.033	11	109.4252	0.408	19	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,5|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,2|O<2>,6|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.2695	0.019	2	109.4987	0.158	3	109.4933	0.033	11	109.4252	0.408	19	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]O)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[6,6]N[5,6]H)	109.6045	2.271	2	109.6045	5.155	2	109.6045	5.155	2	109.4252	0.408	19	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]N[5,6]H)	109.5630	0.042	4	109.5630	0.002	4	109.2405	0.308	6	109.4252	0.408	19	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]O)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,3|C<3>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6,6]N[5,6]H)	108.5955	0.535	2	108.5955	0.287	2	109.2405	0.308	6	109.4252	0.408	19	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5,6]	H	4:3:2:1:	4:4:3:	4:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O)	H(C[6]C[5,5,6]N[5,6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O){3|C<4>,4|H<1>}	H(C[6]C[5,5,6]N[5,6]O)	110.3325	0.129	2	110.3325	0.017	2	110.3325	0.017	2	110.3325	0.017	2	109.3470	0.790	812	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	2:4:3:1:	4:4:3:	4:	O[6]-2:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[6]C[6]N[5]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]N[5]O[6])	108.3245	0.602	2	108.3245	0.362	2	108.3245	0.362	2	108.3245	0.362	2	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6]-3:N[5]-3:O[6]-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6]N[5]O[6])	106.7050	0.000	1	106.7050	0.000	1	106.7050	0.000	1	106.7050	0.000	1	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:3:3:1:	4:3:2:	4:	N[5]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[5]-3:N[5]-2:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H)	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5])	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:C[5]-3:P[5]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5])	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N[5])	108.2520	0.177	2	108.2520	0.031	2	108.2520	0.031	2	108.2520	0.031	2	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[5]-3:C[6]-4:H-1:	C[6]-4:S[5]-4:C[5]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H)	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O)	H(C[6]C[5a,6]C[6]N[5])	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,4|C<3>}	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]N[5])	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:2:1:	3:4:3:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	H(C[6]C[6]N[5]O[6])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[5]O[6])	108.4490	0.341	3	108.4490	0.116	3	108.4490	0.116	3	108.4490	0.116	3	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:2:1:	4:3:3:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5]-3:N[5]-3:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H)	H(C[6]C[6]N[5]O[6])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]N[5]O[6])	107.9320	0.000	1	107.9320	0.000	1	107.9320	0.000	1	107.9320	0.000	1	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:3:1:	3:3:4:	4:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H){1|H<1>,1|I<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	106.5380	0.869	5	106.5380	0.755	5	106.5380	0.755	5	106.5380	0.755	5	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N[5])	106.8505	0.462	4	106.8505	0.213	4	106.8505	0.213	4	106.8505	0.213	4	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]N[5])	106.8210	0.000	1	106.8210	0.000	1	107.3033	0.285	6	107.3033	0.285	6	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]N[5])	106.7190	0.000	1	107.4405	0.371	4	107.3033	0.285	6	107.3033	0.285	6	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]N[5])	107.6810	0.458	3	107.4405	0.371	4	107.3033	0.285	6	107.3033	0.285	6	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N[5])	107.2370	0.000	1	107.2370	0.000	1	107.3033	0.285	6	107.3033	0.285	6	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[5])	103.3310	0.000	1	103.3310	0.000	1	103.3310	0.000	1	107.5096	3.104	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5]-3:N[5]-3:C[6]-4:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	108.0418	0.565	6	108.0418	0.319	6	108.0418	0.319	6	107.5096	3.104	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:3:4:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	Ge[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H)	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<6>,4|H<1>}	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|H<1>,6|B<6>}	H(C[6]C[6]2N[5])	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	107.5096	3.104	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:4:2:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:Se[5]-2:	C[6]-4:	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5])	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	109.0130	0.526	2	109.0130	0.277	2	109.0130	0.277	2	109.0130	0.277	2	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H)	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N){1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.0540	0.000	1	106.0540	0.000	1	106.0540	0.000	1	106.8661	0.261	16	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Ir)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Ir){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.4593	0.052	3	106.4593	0.003	3	106.9203	0.229	15	106.8661	0.261	16	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	106.7605	0.267	2	107.0327	0.044	8	106.9203	0.229	15	106.8661	0.261	16	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.1235	0.092	6	107.0327	0.044	8	106.9203	0.229	15	106.8661	0.261	16	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	106.8335	0.217	2	106.8335	0.047	2	106.9203	0.229	15	106.8661	0.261	16	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	3:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Pd)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Pd){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.2485	1.371	2	107.2485	1.880	2	106.9203	0.229	15	106.8661	0.261	16	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5]-3:N[5]-2:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(N[5]C[5])	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(N[5]C[5]){4|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.7009	0.501	24	106.7009	0.251	24	106.8197	0.408	26	107.2790	0.762	39	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5]-3:N[5]-2:	C[6]-4:	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5])	H(C[6]C[6]2N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]){1|Co<6>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	108.2460	0.091	2	108.2460	0.008	2	106.8197	0.408	26	107.2790	0.762	39	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5]-3:O[5]-2:	C[6]-4:	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H)	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5])	H(C[6]C[6]2N[5])	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	107.2790	0.762	39	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5]-3:P[5]-2:	C[6]-4:	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5])	H(C[6]C[6]2N[5])	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5]){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.3328	0.519	8	108.3328	0.269	8	108.3328	0.269	8	107.2790	0.762	39	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5]-3:Se[5]-2:	C[6]-4:	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5])	H(C[6]C[6]2N[5])	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5]){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.0480	0.035	3	108.0480	0.001	3	107.9988	0.011	4	107.2790	0.762	39	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:2:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[5]-3:Se[5]-2:	C[6]-4:	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5])	H(C[6]C[6]2N[5])	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.8510	0.000	1	107.8510	0.000	1	107.9988	0.011	4	107.2790	0.762	39	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	B[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.2985	0.086	4	107.2985	0.007	4	107.2985	0.007	4	107.1857	0.246	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2N[5])	106.1680	0.000	1	106.1680	0.000	1	106.4970	0.216	2	107.1857	0.246	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	106.8260	0.000	1	106.8260	0.000	1	106.4970	0.216	2	107.1857	0.246	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	S[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|O<1>,4|H<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.1857	0.246	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:3:4:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	Si[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H)	N[5](Si[5]C[5x3,6x5,20x6]C[6a]2)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,2|C<6>,4|H<1>}	N[5](Si[5]C[5x3,6x5,20x6]C[6a]2)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>,6|B<6>}	H(C[6]C[6]2N[5])	107.8190	0.000	1	107.8190	0.000	1	107.8190	0.000	1	107.1857	0.246	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	B[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	N[5](B[5]B[5]Cl2)(C[6]C[6]2H)(C[5]N[5]N)	H(C[6]C[6]2N[5])	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|B<3>,1|C<4>,2|N<3>,4|H<1>}	N[5](B[5]B[5]Cl2)(C[6]C[6]2H)(C[5]N[5]N){1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.8500	0.000	1	106.8500	0.000	1	106.8500	0.000	1	107.5028	1.570	5	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2N[5])	106.2260	0.000	1	106.2260	0.000	1	106.4820	0.131	2	107.5028	1.570	5	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O)	H(C[6]C[6]2N[5])	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O){4|H<1>,5|C<4>}	H(C[6]C[6]2N[5])	106.7380	0.000	1	106.7380	0.000	1	106.4820	0.131	2	107.5028	1.570	5	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	Ga[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H)	N[5](Ga[5]N[5]CC)(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[5](Ga[5]N[5]CC)(C[6]C[6]2H)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.8500	0.092	2	108.8500	0.008	2	108.8500	0.008	2	107.5028	1.570	5	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ir)(C[5]C[5]H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ir<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ir)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[5]O[6])	109.0045	0.484	2	109.0045	0.235	2	109.3982	0.242	6	109.3982	0.242	6	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ni)(C[5]C[5]H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ni<4>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ni)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[5]O[6])	109.7740	0.233	2	109.7740	0.054	2	109.3982	0.242	6	109.3982	0.242	6	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Pt)(C[5]C[5]H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Pt<6>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Pt)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[5]O[6])	109.0120	0.000	1	109.0120	0.000	1	109.3982	0.242	6	109.3982	0.242	6	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Rh)(C[5]C[5]H)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Rh<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]N[5]Rh)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[5]O[6])	109.8200	0.000	1	109.8200	0.000	1	109.3982	0.242	6	109.3982	0.242	6	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H){1|F<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	105.0300	0.000	1	105.0300	0.000	1	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N[5])	107.2060	0.000	1	107.2060	0.000	1	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[4,5]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[4,5]O)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.4570	0.000	1	107.4570	0.000	1	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,6]O)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.8060	0.000	1	107.8060	0.000	1	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	105.0690	0.000	1	107.0083	0.772	7	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.0630	0.000	1	107.0083	0.772	7	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.0750	0.000	1	107.0083	0.772	7	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.4627	0.114	4	107.0083	0.772	7	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.1780	0.806	2	107.1780	0.650	2	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[5])	108.0115	0.766	2	108.0115	0.586	2	107.1291	0.894	15	107.1291	0.894	15	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<1>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2N[5])	107.0602	0.415	4	107.0602	0.172	4	107.0602	0.172	4	107.0602	0.172	4	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]N[5])	104.0370	0.000	1	104.0370	0.000	1	105.4083	0.714	7	105.4083	0.714	7	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]N[5])	105.5225	0.250	2	105.5225	0.062	2	105.4083	0.714	7	105.4083	0.714	7	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]N[5])	104.5440	0.000	1	104.5440	0.000	1	105.4083	0.714	7	105.4083	0.714	7	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]N[5])	106.3860	0.000	1	106.3860	0.000	1	105.4083	0.714	7	105.4083	0.714	7	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]N[5])	105.9230	0.290	2	105.9230	0.084	2	105.4083	0.714	7	105.4083	0.714	7	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	104.0860	0.000	1	104.0860	0.000	1	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.7780	1.133	2	106.7780	1.283	2	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6]2N[5])	106.2350	0.000	1	106.2350	0.000	1	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2N[5])	107.1360	0.000	1	107.1360	0.000	1	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	106.9770	0.000	1	107.1320	0.022	3	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.2095	0.093	2	107.1320	0.022	3	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	108.4430	0.000	1	108.4430	0.000	1	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[4,5]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|O<1>,3|C<4>,4|H<1>}	N[5](C[5]C[4,5]O)2(C[6]C[6]2H){4|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	106.8330	0.348	6	106.8330	0.121	6	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.6240	0.000	1	106.6240	0.000	1	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	105.7890	2.046	8	105.7890	4.185	8	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6]2N[5])	107.8315	0.713	2	107.8315	0.509	2	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2N[5])	107.4340	0.000	1	107.4340	0.000	1	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.5105	0.399	6	107.5105	0.159	6	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.7525	0.155	2	107.7525	0.024	2	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.5695	0.166	2	107.5695	0.028	2	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.8020	0.000	1	107.8020	0.000	1	106.8787	1.647	38	106.8787	1.647	38	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.5605	0.405	2	107.5605	0.164	2	106.7509	2.387	9	106.7509	2.387	9	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Ir)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Ir){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.9340	0.000	1	106.9340	0.000	1	106.7509	2.387	9	106.7509	2.387	9	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Pd)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Pd){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.7075	0.299	2	106.7075	0.089	2	106.7509	2.387	9	106.7509	2.387	9	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Rh)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Rh){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.7060	0.000	1	106.7060	0.000	1	106.7509	2.387	9	106.7509	2.387	9	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H){1|B<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.8550	0.079	2	107.8550	0.006	2	106.7509	2.387	9	106.7509	2.387	9	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S){4|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	102.8720	0.000	1	102.8720	0.000	1	106.7509	2.387	9	106.7509	2.387	9	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Ni<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.5365	0.080	2	107.5034	0.178	5	107.5034	0.178	5	107.5034	0.178	5	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2N[5])	107.4813	0.592	3	107.5034	0.178	5	107.5034	0.178	5	107.5034	0.178	5	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	108.6510	0.000	1	108.6510	0.000	1	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H){1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	104.7815	3.996	2	104.7815	15.967	2	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.8635	0.084	2	106.8635	0.007	2	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	105.9810	0.733	2	105.9810	0.537	2	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<2>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.6080	0.000	1	108.0875	0.221	21	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.8575	0.056	2	108.0875	0.221	21	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){1|C<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.5290	0.000	1	108.0875	0.221	21	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.1168	0.481	17	108.0875	0.221	21	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.7390	0.058	2	107.7390	0.003	2	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.2195	0.086	2	108.2195	0.007	2	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<1>,3|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	105.0290	0.000	1	105.0290	0.000	1	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.1350	1.068	2	107.1277	0.570	3	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){2|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	107.1130	0.000	1	107.1277	0.570	3	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.2340	0.888	2	103.3374	33.056	6	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	101.8890	6.815	4	103.3374	33.056	6	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<1>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S){2|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	106.7180	0.000	1	106.7180	0.000	1	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]O)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)2{2|C<4>,8|H<1>}	H(C[6]C[6]2N[5])	107.5360	0.000	1	106.9900	0.224	3	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]C[5]O)2	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5](C[6]C[6]2H)(C[5]C[5]O)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	106.7170	0.030	2	106.9900	0.224	3	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Co<3>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.4496	0.277	5	107.6649	0.083	29	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.7097	0.275	24	107.6649	0.083	29	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Cu)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Cu)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.5130	0.000	1	107.5130	0.000	1	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Fe<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.5880	0.000	1	108.4433	0.031	3	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Fe<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.3710	0.173	2	108.4433	0.031	3	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ni)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Ni)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.5325	0.527	2	107.5325	0.278	2	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.0580	0.263	7	108.0580	0.069	7	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.9893	0.393	14	107.9322	0.159	16	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pt<5>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.5330	0.148	2	107.9322	0.159	16	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.0946	0.403	8	107.9397	0.243	10	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.3200	0.308	2	107.9397	0.243	10	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.5240	0.231	3	107.3015	1.002	13	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.7469	0.286	8	107.3015	1.002	13	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	105.1865	0.814	2	107.3015	1.002	13	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.9060	0.406	2	107.8371	0.218	16	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.8273	0.488	14	107.8371	0.218	16	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2N[5])	108.1990	0.737	2	108.1990	0.543	2	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.6680	1.410	2	106.6680	1.988	2	107.5016	2.537	147	107.5016	2.537	147	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<4>,7|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.8570	0.000	1	107.8570	0.000	1	107.1268	0.205	8	107.1268	0.205	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	107.2720	0.000	1	107.2720	0.000	1	107.1268	0.205	8	107.1268	0.205	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H){1|Pt<4>,2|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6]2N[5])	106.8628	0.438	4	106.8628	0.192	4	107.1268	0.205	8	107.1268	0.205	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.2170	0.093	2	107.2170	0.009	2	107.1268	0.205	8	107.1268	0.205	8	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]N[5])	104.9590	0.899	2	104.9590	0.809	2	105.5391	1.850	8	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(C[5]O[5]O){1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]N[5])	105.7010	2.086	3	105.7010	4.351	3	105.5391	1.850	8	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]N[5])	105.6320	1.558	2	105.6320	2.429	2	105.5391	1.850	8	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]N[5])	106.0280	0.000	1	106.0280	0.000	1	105.5391	1.850	8	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6]2N[5])	107.7040	0.000	1	107.7040	0.000	1	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<2>,3|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,8|H<1>}	H(C[6]C[6]2N[5])	107.6430	0.000	1	107.6430	0.000	1	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	107.3050	0.000	1	107.3050	0.000	1	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]Ru)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<5>,1|N<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]Ru){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	107.1460	0.000	1	107.1460	0.000	1	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]2H)(C[5]N[5]Rh)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]2H)(C[5]N[5]Rh){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2N[5])	104.6810	0.000	1	104.6810	0.000	1	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	106.4095	1.129	2	106.7700	1.027	3	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	H(C[6]C[6]2N[5])	107.4910	0.000	1	106.7700	1.027	3	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5]CC)(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,5|H<1>,6|C<4>}	N[5](C[5]C[5]CC)(C[6]C[6]2H)(C[5]C[5]H){1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	108.6420	0.000	1	108.6420	0.000	1	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2N[5])	108.1490	0.000	1	108.1655	0.001	2	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP2	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2N[5])	108.1820	0.000	1	108.1655	0.001	2	107.2511	1.333	11	106.5303	2.214	19	107.2695	1.885	362	108.7063	2.065	1215
466	542	951	0:SP3_SP-NON_SP3	C[3x6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]N[5,6,6]C[6,6]2)	111.1610	0.000	1	111.1610	0.000	1	111.4605	0.179	2	111.4605	0.179	2	110.6482	1.124	5	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[3x6]	N[5,6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[3x6]N[5,6,6]C[6,6]2)	111.7600	0.000	1	111.7600	0.000	1	111.4605	0.179	2	111.4605	0.179	2	110.6482	1.124	5	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[3x6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H)	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH)	H(C[3x6]N[5,6,6]C[3x6]C[4x6])	C[3x6](N[5,6,6]C[5,3x6]C[5])(C[4x6]C[6,6]C[6x6]H)(C[3x6]C[4x6]C[6]H)(H){1|O<2>,7|C<4>,7|H<1>}	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH){5|H<1>,6|C<4>}	H(C[3x6]N[5,6,6]C[3x6]C[4x6])	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.5195	0.048	2	110.6482	1.124	5	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[3x6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-4:C[5,5,6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H)	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H)	H(C[3x6]N[5,6,6]C[6,6]2)	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H){4|C<4>,6|H<1>}	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,8|H<1>}	H(C[3x6]N[5,6,6]C[6,6]2)	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.5195	0.048	2	110.6482	1.124	5	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[3x6]	N[5,6,6]	H	4:3:4:1:	4:4:3:	4:	C[3,6,6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3x6]-4:	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O)	H(C[3x6]C[3,6,6]N[5,6,6]C[6,6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[3,6,6]N[5,6,6]C[6,6])	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	110.6482	1.124	5	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[3x6]	N[5,6]	H	4:3:4:1:	3:3:4:	4:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	H(C[3x6]C[3x6]2N[5,6])	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	H(C[3x6]C[3x6]2N[5,6])	107.0070	0.803	6	107.0070	0.645	6	107.0070	0.645	6	107.0070	0.645	6	107.0070	0.645	6	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6,6]	H	3:3:2:1:	4:4:3:	4:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S)	H(C[6,6]N[5,6,6]C[6,6a]O[6])	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[5,6,6]C[6,6a]O[6])	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	109.4954	0.493	43	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O[5]C[5])	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]N[5,6,6]C[3x6]H)	109.2434	0.046	5	109.2434	0.002	5	109.2434	0.002	5	109.2434	0.002	5	109.4954	0.493	43	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:S[5]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(S[5]O[5]OO)	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(S[5]O[5]OO){2|C<4>,7|H<1>}	H(C[6,6]N[5,6,6]C[3x6]H)	109.3640	0.486	2	109.3640	0.237	2	109.3640	0.237	2	109.7621	0.026	30	109.4954	0.493	43	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6,6]-3:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[6,6]N[5,6,6]C[6,6]H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2{4|C<4>,6|H<1>}	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH){1|I<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]N[5,6,6]C[6,6]H)	109.7905	0.079	28	109.7905	0.006	28	109.7905	0.006	28	109.7621	0.026	30	109.4954	0.493	43	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]O)(H){2|S<2>,4|C<4>,4|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|O<1>,3|C<4>,9|H<1>}	H(C[6,6]N[5,6,6]C[6]2)	107.3500	0.000	2	107.3500	0.000	2	107.3500	0.000	2	107.3500	0.000	2	109.4954	0.493	43	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	H(C[6,6]N[5,6,6]C[6]2)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6,6]HH)(C[6]C[6]CI)(H){2|S<2>,4|C<4>,4|H<1>}	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|I<1>,4|C<4>,9|H<1>}	H(C[6,6]N[5,6,6]C[6]2)	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	107.2410	0.000	1	109.4954	0.493	43	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6,6]	H	4:3:1:1:	4:4:4:	4:	C[4x6]-4:N[5,6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH)	H(C[6,6]N[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|C<4>,6|H<1>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]N[5,6,6]C[4x6]H)	109.7330	0.018	2	109.7330	0.000	2	109.7330	0.000	2	109.8533	0.019	4	109.4954	0.493	43	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,3x6]-4:N[5,6,6]-3:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH)	H(C[6,6]C[5,3x6]N[5,6,6]H)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|H<1>,6|C<4>}	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]N[5,6,6]H)	109.9735	0.012	2	109.9735	0.000	2	109.9735	0.000	2	109.8533	0.019	4	109.4954	0.493	43	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6]	H	3:3:3:1:	4:3:4:	4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	107.1655	6.016	11	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:S[5]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO){1|H<1>,8|C<3>}	H(C[6,6]N[5,6]N[6,6]C[6])	106.6380	0.000	1	106.6380	0.000	1	106.6380	0.000	1	106.6380	0.000	1	107.1655	6.016	11	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	H(C[6,6]C[5,6]C[6,6]N[5,6])	C[6,6](N[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|C<3>,1|O<1>,5|C<4>,7|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){2|C<3>,3|H<1>,6|C<4>}	H(C[6,6]C[5,6]C[6,6]N[5,6])	107.6050	0.000	2	107.6050	0.000	2	107.6050	0.000	2	107.6050	0.000	2	107.1655	6.016	11	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	H(C[6,6]C[5,6]C[6,6]N[5,6])	C[6,6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H){1|O<2>,7|C<4>,7|H<1>}	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	H(C[6,6]C[5,6]C[6,6]N[5,6])	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	109.7460	0.000	1	107.1655	6.016	11	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	C[6,6]-4:	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	107.5640	0.363	2	107.5640	0.132	2	107.5640	0.132	2	107.5640	0.132	2	107.1655	6.016	11	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:N[5]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C)	H(C[6,6]C[3x6]N[5,6]C[6])	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C){4|H<1>,5|C<4>}	H(C[6,6]C[3x6]N[5,6]C[6])	102.5950	0.000	2	102.5950	0.000	2	102.5950	0.000	2	102.5950	0.000	2	107.1655	6.016	11	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:N[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	107.1655	6.016	11	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[6,6]C[6,6]N[5,6]C[6])	C[6,6](C[6,6]C[5,6,6]HH)(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	H(C[6,6]C[6,6]N[5,6]C[6])	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	108.2270	0.000	1	107.1655	6.016	11	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[5]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	109.5570	0.000	1	109.3345	0.099	2	109.3345	0.099	2	108.1833	4.025	3	108.1833	4.025	3	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[5]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2	H(C[6,6]C[3x6]C[6,6]N[5])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2{1|N<3>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]N[5])	109.1120	0.000	1	109.3345	0.099	2	109.3345	0.099	2	108.1833	4.025	3	108.1833	4.025	3	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6,6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[5]-3:H-1:	C[6,6]-4:C[5]-4:C[5]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H)	N[5](C[6,6]C[6,6]2H)(C[5]C[5]HH)2	H(C[6,6]C[6,6]2N[5])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[5]C[5]2)(H){4|C<4>,6|H<1>}	N[5](C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2N[5])	105.8810	0.000	1	105.8810	0.000	1	105.8810	0.000	1	108.1833	4.025	3	108.1833	4.025	3	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH)	H(C[6]N[5,5,6]C[6]H)	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2{1|N<3>,2|C<4>,4|C<3>}	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|N<3>,3|C<4>,4|H<1>}	H(C[6]N[5,5,6]C[6]H)	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	110.1540	0.000	1	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]N[5,6,6]C[6]H)	109.3645	0.057	2	109.3645	0.003	2	109.3645	0.003	2	109.3645	0.003	2	105.8368	10.733	5	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6,6]-3:C[6]-4:C-4:H-1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)	H(C[6]N[5,6,6]C[6]C)	C[6](N[5,6,6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(CH3)(H){1|C<3>,3|H<1>,4|C<4>}	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH){1|C<3>,5|C<4>,7|H<1>}	H(C[6]N[5,6,6]C[6]C)	103.4850	0.851	3	103.4850	0.724	3	103.4850	0.724	3	103.4850	0.724	3	105.8368	10.733	5	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:2:1:1:	4:3:4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]O[6]H)	109.3888	0.067	6	109.3888	0.004	6	109.3888	0.004	6	109.3642	0.043	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:2:1:1:	4:3:4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	H(C[6]N[5,6]O[6]H)	109.3395	0.298	6	109.3395	0.089	6	109.3395	0.089	6	109.3642	0.043	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:2:1:1:	4:4:3:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5,6]O[6]H)	109.4484	0.045	5	109.4484	0.002	5	109.4484	0.002	5	109.4484	0.002	5	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.3370	0.017	2	109.3370	0.000	2	109.3370	0.000	2	109.6880	0.381	4	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[5,6]C[6]H)	110.0390	0.806	2	110.0390	0.650	2	110.0390	0.650	2	109.6880	0.381	4	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH){1|Rh<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.3028	0.085	4	109.3028	0.007	4	109.3028	0.007	4	109.1349	0.135	62	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	H(C[6]N[5,6]N[6]H)	108.9765	0.029	2	108.9765	0.001	2	109.1233	0.142	58	109.1349	0.135	62	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	H(C[6]N[5,6]N[6]H)	109.3369	0.485	12	109.3369	0.235	12	109.1233	0.142	58	109.1349	0.135	62	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	H(C[6]N[5,6]N[6]H)	108.8939	0.317	16	108.8939	0.100	16	109.1233	0.142	58	109.1349	0.135	62	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	H(C[6]N[5,6]N[6]H)	109.1374	0.169	14	109.1374	0.029	14	109.1233	0.142	58	109.1349	0.135	62	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]N[5,6]N[6]H)	108.7755	0.085	6	108.7755	0.007	6	109.1233	0.142	58	109.1349	0.135	62	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:3:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<4>,3|C<3>}	H(C[6]N[5,6]N[6]H)	109.5344	0.104	8	109.5344	0.011	8	109.1233	0.142	58	109.1349	0.135	62	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,6|C<3>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){1|Br<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	110.1095	0.016	2	110.1095	0.000	2	110.1095	0.000	2	109.2021	0.234	16	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|F<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.7190	0.007	2	109.7190	0.000	2	109.1315	0.292	6	109.2021	0.234	16	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.5125	0.030	2	108.5125	0.001	2	109.1315	0.292	6	109.2021	0.234	16	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]HH)(C[5]O[5]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]HH)(C[5]O[5]O){1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.1630	0.010	2	109.1630	0.000	2	109.1315	0.292	6	109.2021	0.234	16	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]N[5,6]N[6]H)	109.0957	0.166	4	109.0957	0.028	4	109.0281	0.020	8	109.2021	0.234	16	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]N[5,6]N[6]H)	108.9605	0.077	4	108.9605	0.006	4	109.0281	0.020	8	109.2021	0.234	16	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.1640	0.718	2	108.1640	0.516	2	108.1640	0.516	2	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{3|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.1570	0.030	2	109.1570	0.001	2	109.3063	0.019	6	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{2|H<1>,3|C<4>,4|C<3>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.3810	0.096	4	109.3810	0.009	4	109.3063	0.019	6	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.8510	0.037	2	108.8510	0.001	2	109.1488	0.037	8	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.1695	0.015	2	109.2480	0.004	6	109.1488	0.037	8	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.2873	0.026	4	109.2480	0.004	6	109.1488	0.037	8	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.7720	0.000	1	106.7712	4.465	5	106.7712	4.465	5	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	106.2710	2.070	4	106.7712	4.465	5	106.7712	4.465	5	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{2|H<1>,3|C<3>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.0030	0.010	2	109.0030	0.000	2	109.0030	0.000	2	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.8910	0.000	1	109.8910	0.000	1	111.3594	36.637	5	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.7155	0.015	2	108.7155	0.000	2	111.3594	36.637	5	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2{3|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,6|H<1>}	H(C[6]C[6,6a]N[5,6]H)	114.7375	10.373	2	114.7375	107.590	2	111.3594	36.637	5	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.7903	0.115	4	109.7903	0.013	4	109.7903	0.013	4	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|N<3>,3|H<1>,4|C<4>}	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	106.7575	0.950	2	106.7575	0.902	2	106.7575	0.902	2	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.6295	0.179	4	109.6295	0.032	4	109.6295	0.032	4	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	H(C[6]N[5,6]C[6]H)	108.4631	0.238	29	108.4631	0.057	29	108.4631	0.057	29	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.0738	0.265	6	108.4138	1.757	24	108.7849	1.538	35	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.5271	1.517	18	108.4138	1.757	24	108.7849	1.538	35	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.6659	0.174	7	109.7377	0.043	9	108.7849	1.538	35	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.9890	0.010	2	109.7377	0.043	9	108.7849	1.538	35	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	108.9500	0.010	2	108.9500	0.000	2	108.7849	1.538	35	108.8132	2.902	103	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:2:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC)	H(C[6]C[6,6a]N[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]O)	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	107.1000	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:2:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:S[6]-2:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6])	H(C[6]N[5,6]C[6a]S[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]S[6])	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	108.5510	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:3:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6a]N[6])	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:3:1:	4:4:2:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]N[6])	107.8540	0.000	1	107.8540	0.000	1	107.8540	0.000	1	109.1195	3.203	2	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:3:1:	4:4:2:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5])	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5]){2|C<4>,6|C<3>}	H(C[6]N[5,6]C[6a]N[6])	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	109.1195	3.203	2	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:3:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,4|H<1>,6|C<3>}	H(C[6]N[5,6]C[6a]C[6])	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	111.9270	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[6]C[5a,6]N[5,6]C[6a])	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<3>,2|N<2>,3|C<4>,5|H<1>}	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]N[5,6]C[6a])	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	107.7977	0.380	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.4170	0.000	1	107.4170	0.000	1	107.4170	0.000	1	107.7977	0.380	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.7977	0.380	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	3:4:2:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[6]-4:	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.1585	0.544	2	107.1585	0.296	2	107.1585	0.296	2	107.1585	0.296	2	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.0790	0.000	1	108.0790	0.000	1	108.0790	0.000	1	107.6320	0.400	2	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	3:4:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,5|C<3>,5|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.1850	0.000	1	107.1850	0.000	1	107.1850	0.000	1	107.6320	0.400	2	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,3|C<2>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	109.0895	0.501	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.2700	0.000	1	109.2700	0.000	1	109.3004	0.292	5	109.0895	0.501	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,3|C<3>,6|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.5810	0.000	1	108.5810	0.000	1	109.3004	0.292	5	109.0895	0.501	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	110.0110	0.000	1	109.8000	0.089	2	109.3004	0.292	5	109.0895	0.501	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.5890	0.000	1	109.8000	0.089	2	109.3004	0.292	5	109.0895	0.501	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,7|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.0510	0.000	1	109.0510	0.000	1	109.3004	0.292	5	109.0895	0.501	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:4:2:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:C[5,6]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	109.2047	2.446	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	110.1040	0.198	2	110.1040	0.039	2	110.1040	0.039	2	109.2047	2.446	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H)	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH){1|N<3>,2|O<1>,3|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]C)	108.7760	0.000	1	108.7760	0.000	1	108.7760	0.000	1	109.0058	0.064	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.7300	0.000	1	108.7300	0.000	1	109.1068	0.065	4	109.0058	0.064	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.2323	0.055	3	109.2323	0.003	3	109.1068	0.065	4	109.0058	0.064	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:3:4:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO){4|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	109.0058	0.064	6	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	3:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.4040	0.011	2	109.4040	0.000	2	109.4040	0.000	2	109.4040	0.000	2	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]N[5,6]H)	108.5370	0.017	2	108.5370	0.000	2	108.4928	0.003	4	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	H(C[6]C[6,6]N[5,6]H)	108.4485	0.016	2	108.4485	0.000	2	108.4928	0.003	4	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.0615	0.006	2	109.0615	0.000	2	109.0615	0.000	2	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7920	0.024	2	109.7920	0.001	2	109.7920	0.001	2	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.5060	0.007	2	108.5060	0.000	2	109.0117	0.767	3	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	110.0230	0.000	1	110.0230	0.000	1	109.0117	0.767	3	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	109.6630	0.007	2	109.6630	0.000	2	109.7240	0.021	6	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	109.9065	0.021	2	109.9065	0.000	2	109.7240	0.021	6	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.6025	0.025	2	109.6025	0.001	2	109.7240	0.021	6	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.9120	0.014	2	109.9120	0.000	2	109.9120	0.000	2	109.3095	0.385	19	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,3|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]H)	108.2790	0.010	2	108.2790	0.000	2	108.2790	0.000	2	109.3174	1.136	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.2270	0.006	2	110.2270	0.000	2	109.5251	1.101	10	109.3174	1.136	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	108.3285	0.008	2	108.3285	0.000	2	109.5251	1.101	10	109.3174	1.136	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	110.4105	0.030	2	110.4105	0.001	2	109.5251	1.101	10	109.3174	1.136	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	110.3705	0.019	2	110.3705	0.000	2	109.5251	1.101	10	109.3174	1.136	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]HH)(O[5]C[5])	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]HH)(O[5]C[5]){1|S<4>,2|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.2890	0.040	2	108.2890	0.002	2	109.5251	1.101	10	109.3174	1.136	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7285	0.043	2	109.7285	0.002	2	109.7285	0.002	2	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,3x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	N[5,6](C[5,3x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	110.0553	0.138	12	110.0553	0.019	12	110.0553	0.019	12	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	109.9702	0.230	4	109.8325	0.077	6	109.8325	0.077	6	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.5570	0.010	2	109.8325	0.077	6	109.8325	0.077	6	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.7470	0.013	2	109.7470	0.000	2	109.7470	0.000	2	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.3255	2.232	2	109.3255	4.983	2	109.3255	4.983	2	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.6545	0.025	2	109.6545	0.001	2	109.7135	0.037	10	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{6|C<3>}	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	109.7625	0.029	2	109.7625	0.001	2	109.7135	0.037	10	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	109.3590	0.000	1	109.3590	0.000	1	109.7135	0.037	10	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]Ir){2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.5710	0.072	2	109.5710	0.005	2	109.7135	0.037	10	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.9950	0.000	1	109.9950	0.000	1	109.7135	0.037	10	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9025	0.018	2	109.9025	0.000	2	109.7135	0.037	10	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.4150	0.010	4	110.2144	0.066	26	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.2065	0.037	6	110.2144	0.066	26	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<2>,2|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.1328	0.190	4	110.2144	0.066	26	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.7635	0.028	2	110.2144	0.066	26	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9168	0.144	6	110.2144	0.066	26	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.4280	0.004	2	110.2144	0.066	26	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.1305	0.033	2	110.2144	0.066	26	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.3205	0.037	2	110.0906	0.052	5	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	109.9373	0.121	3	110.0906	0.052	5	110.1945	0.064	31	110.0065	0.175	65	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[3,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	H(C[6]C[3,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3,6]N[5,6]H)	109.4705	0.094	2	109.6269	0.028	8	109.6269	0.028	8	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[3,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	H(C[6]C[3,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3,6]N[5,6]H)	109.6790	0.156	6	109.6269	0.028	8	109.6269	0.028	8	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]N[5,6]H)	109.8970	0.000	1	109.8970	0.000	1	109.8970	0.000	1	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,4|C<4>,8|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]N[5,6]H)	109.9322	0.159	4	109.9322	0.025	4	109.9322	0.025	4	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.9030	0.231	2	108.9030	0.053	2	108.9190	0.033	6	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	108.7680	0.033	2	108.7680	0.001	2	108.9190	0.033	6	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.0860	0.102	2	109.0860	0.010	2	108.9190	0.033	6	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|N<3>,3|H<1>,4|C<4>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.0530	0.006	2	110.0530	0.000	2	109.7048	0.162	4	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.3565	0.018	2	109.3565	0.000	2	109.7048	0.162	4	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:S[5]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO){1|O<1>,4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	104.3640	3.429	2	105.5850	5.978	4	105.5850	5.978	4	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6]-4:S[5]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|O<1>,3|C<4>}	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO){1|O<2>,4|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	106.8060	0.457	2	105.5850	5.978	4	105.5850	5.978	4	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.9650	0.024	2	109.9650	0.001	2	109.9650	0.001	2	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]CH)(H)2{2|H<1>,6|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.7970	0.024	2	108.7970	0.001	2	108.7970	0.001	2	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.0070	0.054	2	110.0070	0.003	2	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[6]N[5,6]C[6]H)	110.5980	0.000	1	110.5980	0.000	1	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.6455	0.042	4	109.6455	0.002	4	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.8005	0.009	2	109.8005	0.000	2	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.6260	0.004	2	109.6998	0.007	6	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,2|N<3>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.7368	0.079	4	109.6998	0.007	6	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.8104	0.049	10	109.8104	0.002	10	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.7020	0.024	2	109.7020	0.001	2	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.9900	0.000	1	109.9900	0.000	1	109.8033	0.037	28	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.6252	0.011	4	108.6252	0.000	4	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7032	0.110	4	110.0046	0.124	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.4630	0.065	2	110.0046	0.124	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.1490	0.020	2	110.0046	0.124	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.4775	0.050	2	109.4775	0.003	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.9485	2.522	2	108.9305	0.926	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.8040	0.007	2	108.9305	0.926	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.9848	0.157	4	108.9305	0.926	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	108.2375	0.006	2	108.1333	0.016	4	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){3|H<1>,6|C<4>}	H(C[6]N[5,6]C[6]H)	108.0290	0.055	2	108.1333	0.016	4	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	108.1025	0.081	2	108.1025	0.007	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	108.5131	0.220	8	108.6798	0.161	10	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.3465	0.009	2	108.6798	0.161	10	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2{4|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.3785	0.060	2	108.3785	0.004	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.7915	0.026	2	108.7915	0.001	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.2505	1.966	2	109.0365	0.803	6	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.9840	0.017	2	109.0365	0.803	6	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.8750	0.010	2	109.0365	0.803	6	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.1045	0.042	2	109.1045	0.002	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.3552	0.019	4	109.2398	0.067	5	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.7780	0.000	1	109.2398	0.067	5	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	110.4683	0.114	3	110.4683	0.013	3	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9393	0.025	3	109.9393	0.001	3	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.0895	0.042	2	109.9983	0.051	12	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9801	0.244	10	109.9983	0.051	12	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	105.8675	0.036	2	105.8675	0.001	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.1960	0.054	2	109.1960	0.003	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7738	0.143	4	109.7738	0.021	4	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	108.9005	0.066	2	108.9005	0.004	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|I<1>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	110.3092	0.053	4	110.3092	0.003	4	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.3340	0.025	2	110.3340	0.001	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.2845	0.009	2	110.0798	0.252	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.4925	0.049	2	110.0798	0.252	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.2020	0.000	1	110.0798	0.252	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.2940	0.019	3	110.0798	0.252	8	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<4>,5|C<4>}	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	110.3265	0.013	2	110.3265	0.000	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.3915	0.006	2	109.9275	0.384	4	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	110.4635	0.042	2	109.9275	0.384	4	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.0975	0.036	2	109.0975	0.001	2	109.3597	0.856	105	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[6]N[5,6]C[6]H)	110.1360	0.025	2	110.3097	0.041	4	110.3097	0.041	4	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	H(C[6]N[5,6]C[6]H)	110.4835	0.021	2	110.3097	0.041	4	110.3097	0.041	4	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[6]N[5,6]C[6]H)	110.4490	0.093	2	110.4490	0.009	2	109.8177	0.127	10	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.5905	0.011	2	109.5905	0.000	2	109.8177	0.127	10	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.6830	0.158	6	109.6830	0.025	6	109.8177	0.127	10	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.7865	0.110	2	109.7865	0.012	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|N<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]N[5,6]C[6]H)	110.3955	0.032	2	110.3955	0.001	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	109.2587	0.737	4	109.2587	0.544	4	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	108.9070	1.778	2	108.9070	3.160	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	108.9110	0.042	2	108.9110	0.002	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.6870	0.014	2	109.6870	0.000	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|S<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.9490	0.000	1	109.9490	0.000	1	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,7|C<3>}	H(C[6]N[5,6]C[6]H)	109.2805	0.005	2	109.2805	0.000	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH){1|S<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	108.9095	0.040	2	108.9095	0.002	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.8095	0.054	2	108.9412	0.024	4	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	109.0730	0.013	2	108.9412	0.024	4	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	110.0490	0.000	1	109.8756	0.032	5	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.8323	0.174	4	109.8756	0.032	5	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.2570	0.000	1	109.4470	0.530	3	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.5420	1.003	2	109.4470	0.530	3	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.7945	0.029	2	109.7945	0.001	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.8895	0.012	2	109.8895	0.000	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,2|S<2>,5|H<1>}	H(C[6]N[5,6]C[6]H)	105.7341	8.225	2	105.7341	67.649	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	H(C[6]N[5,6]C[6]H)	108.4335	0.177	2	108.4335	0.032	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.7940	0.008	2	109.8593	0.006	4	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.9245	0.008	2	109.8593	0.006	4	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.7955	3.133	2	109.7687	0.758	14	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.7570	0.024	2	109.7687	0.758	14	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.7657	0.063	10	109.7687	0.758	14	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[6]N[5,6]C[6]H)	109.7940	0.011	2	109.7940	0.000	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	109.9155	0.011	2	110.0025	0.011	4	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){1|Al<4>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	110.0895	0.040	2	110.0025	0.011	4	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.9510	0.000	1	109.9510	0.000	1	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.9280	0.004	2	109.9280	0.000	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,6|H<1>}	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.7623	0.258	12	109.7623	0.066	12	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	108.9123	0.232	4	108.9123	0.054	4	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.8610	0.033	2	109.8610	0.001	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.3235	7.304	2	109.3235	53.344	2	109.4965	2.132	86	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(S[5]C[5]OO)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|O<1>,3|C<4>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(S[5]C[5]OO){1|C<3>,1|N<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	108.7140	0.530	4	108.7140	0.281	4	108.9988	0.363	6	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S[5]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]N[5]OO)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]N[5]OO){1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	109.5685	0.018	2	109.5685	0.000	2	108.9988	0.363	6	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:P[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(P[5]N[5,6]OS)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[6]H)(P[5]N[5,6]OS)(C[6]C[6]HH){3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	109.5775	0.034	4	109.5775	0.001	4	109.5775	0.001	4	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:S[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2	N[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a]OO)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a]OO)(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	109.5650	0.054	2	109.5650	0.003	2	109.5650	0.003	2	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:1:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	P[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](P[5,6]N[5]O[6]O)(C[5]C[5]HH)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[5,6](P[5,6]N[5]O[6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	108.9225	0.033	2	108.9225	0.001	2	108.9225	0.001	2	109.4298	1.329	278	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:2:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:S[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]O)	109.7590	0.000	2	109.7590	0.000	2	109.7590	0.000	2	109.7590	0.000	2	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:2:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C-2:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]C)	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	108.5457	0.119	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:2:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){3|H<1>,4|C<3>,4|C<4>}	H(C[6]N[5,6]C[6]O)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	108.5457	0.119	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:2:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	H(C[6]N[5,6]C[6]O)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]O)	108.5250	0.000	1	108.5250	0.000	1	108.5250	0.000	1	108.5457	0.119	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:2:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C-2:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H){3|H<1>,5|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH){3|C<4>,9|H<1>}	H(C[6]N[5,6]C[6]C)	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.2480	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	H(C[6]C[6,6]N[5,6]C)	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]N[5,6]C)	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	107.8590	0.810	5	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.3740	0.260	2	107.3740	0.068	2	107.3740	0.068	2	107.8590	0.810	5	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.7720	0.000	1	107.7720	0.000	1	107.7720	0.000	1	107.8590	0.810	5	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:3:4:	4:	N[5,6]-3:P[6]-4:C-3:H-1:	B[5,5a]-4:N[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H)	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	H(C[6]N[5,6]P[6]C)	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H){1|B<4>,1|P<4>,3|O<2>}	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	H(C[6]N[5,6]P[6]C)	107.3540	0.000	1	107.3540	0.000	1	107.3540	0.000	1	107.8590	0.810	5	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H)	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	H(C[6]N[5,6]C[6]C)	107.4840	0.000	1	107.4840	0.000	1	107.8825	0.318	2	107.9813	0.276	4	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	H(C[6]N[5,6]C[6]C)	108.2810	0.000	1	108.2810	0.000	1	107.8825	0.318	2	107.9813	0.276	4	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.5660	0.000	1	108.5660	0.000	1	108.5660	0.000	1	107.9813	0.276	4	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O)	H(C[6]N[5,6]C[6]N)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]N)	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.9813	0.276	4	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:3:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]C)	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	3:4:4:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6,6a]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	108.0810	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]N[5,6]C[6]C)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|C<2>,3|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]C)	108.6595	2.333	4	108.6595	5.441	4	108.6595	5.441	4	108.8493	2.176	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]C)	108.6050	0.000	1	108.6050	0.000	1	108.6982	0.119	5	108.8493	2.176	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]C)	108.6507	0.451	3	108.7215	0.156	4	108.6982	0.119	5	108.8493	2.176	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,3|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]C)	108.9340	0.000	1	108.7215	0.156	4	108.6982	0.119	5	108.8493	2.176	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]C)	107.3370	0.000	1	107.3370	0.000	1	109.3543	3.059	3	108.8493	2.176	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(O[5]C[5])	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){1|C<3>,3|C<4>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<4>,5|H<1>}	H(C[6]N[5,6]C[6]C)	110.4430	0.000	1	110.4430	0.000	1	109.3543	3.059	3	108.8493	2.176	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:2:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O[5]-2:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){4|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]C)	110.2830	0.000	1	110.2830	0.000	1	109.3543	3.059	3	108.8493	2.176	12	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:3:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O){3|C<4>,9|H<1>}	H(C[6]N[5,6]C[6]C)	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	106.9120	0.000	1	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|O<1>,6|H<1>}	H(C[6]N[5,6]C[6]C)	108.8550	0.431	4	108.8550	0.185	4	108.8550	0.185	4	108.5356	0.649	5	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	3:4:4:1:	4:4:4:	4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:S[5]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H)	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH)	H(C[6]N[5,6]C[6]C)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]C)	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	108.5356	0.649	5	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2{5|C<4>,6|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]N[5,6]H)	109.4330	0.011	2	109.4330	0.000	2	109.4330	0.000	2	109.4935	1.160	15	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[5,6]H)	109.4069	0.122	7	109.4069	0.015	7	109.4069	0.015	7	109.4935	1.160	15	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	108.8625	3.779	2	109.3975	5.143	4	109.6148	3.200	6	109.4935	1.160	15	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	109.9325	0.011	2	109.3975	5.143	4	109.6148	3.200	6	109.4935	1.160	15	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)	H(C[6]N[5,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	H(C[6]N[5,6]C[6]H)	110.0495	0.042	2	110.0495	0.002	2	109.6148	3.200	6	109.4935	1.160	15	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[3,6]-4:N[5,6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH)	H(C[6]C[3,6]N[5,6]C)	C[6](C[3,6]N[3,6]C[3]H)(N[5,6]C[5,6]C[5])(CNO)(H){1|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[3,6]N[5,6]C)	107.7905	0.677	2	107.7905	0.458	2	107.7905	0.458	2	108.1753	0.673	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5,6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[5,6]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	H(C[6]C[5,6]N[5,6]C[6a])	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){3|C<3>,4|C<4>,7|H<1>}	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[6]C[5,6]N[5,6]C[6a])	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	108.1753	0.673	3	109.2713	1.369	663	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-4:N[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H)	H(C[6]C[6,6a]N[5]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5]O[6])	106.7970	0.000	1	106.7970	0.000	1	106.7970	0.000	1	106.7970	0.000	1	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	C[5,5]-4:C[6]-4:C[5]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH)	H(C[6]C[6,6a]N[5]N[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[5]N[6])	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	3:4:2:1:	4:4:4:	4:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[6]-4:S[5]-4:	C[6]-4:	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO)	H(C[6]C[6]N[5]O[6])	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H){2|C<3>,2|O<1>,4|C<4>,5|H<1>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6]N[5]O[6])	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6,6]-3:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H)	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]S[6]H)(N[5]C[5]2)(H){2|O<1>,2|O<2>,3|C<3>,4|C<4>,4|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]N[5])	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.5475	0.013	2	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	3:4:3:1:	4:4:4:	4:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6a]C[6])(C[6]C[6]HN)(N[5]C[5]2)(H){3|C<3>,4|C<4>,5|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]2N[5])	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.5475	0.013	2	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	3:4:4:1:	4:3:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:B[5]-3:C[5]-3:	C[6]-4:	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N)	H(C[6]C[6]2N[5])	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,3|N<3>,4|H<1>}	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N){2|Cl<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[5])	106.1610	0.000	1	106.1610	0.000	1	106.1610	0.000	1	106.1610	0.000	1	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	3:4:4:1:	4:4:3:	4:	N[5]-3:C[6]-4:C[6]-4:H-1:	Ga[4,5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H)	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H)	H(C[6]C[6]2N[5])	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,1|C<4>,2|N<4>,5|H<1>}	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H){1|Ga<4>,1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2N[5])	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.3160	0.000	1	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[5]O[6])	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[6,6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH)	H(C[6]C[6,6]N[5]O[6])	C[6](C[6,6]C[6,6]C[6]H)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[5]O[6])	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	108.7655	0.011	2	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:3:2:1:	4:4:4:	4:	C[6]-4:N[5]-3:O[6]-2:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP)	H(C[6]C[6]N[5]O[6])	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|O<2>,1|P<4>,4|C<4>,5|H<1>}	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[5]O[6])	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.7655	0.011	2	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]N[5])	105.6260	0.000	1	105.6260	0.000	1	105.6260	0.000	1	105.6260	0.000	1	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,2|C<3>,4|C<4>,6|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]N[5])	104.7180	0.000	1	104.7180	0.000	1	104.7180	0.000	1	106.0500	1.345	3	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H)	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)(H){6|C<4>,8|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]N[5])	106.5980	0.000	1	106.5980	0.000	1	106.5980	0.000	1	106.0500	1.345	3	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HN)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<3>,4|H<1>,5|C<4>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]2N[5])	106.8340	0.000	1	106.8340	0.000	1	106.8340	0.000	1	106.0500	1.345	3	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]2N[5])	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	107.0920	0.000	1	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	H(C[6]C[5,6]C[6]N[5])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]N[5])	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	107.0370	0.020	2	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	H(C[6]C[6]2N[5])	107.1370	0.000	1	107.1370	0.000	1	107.1370	0.000	1	107.0370	0.020	2	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|N<3>,3|C<4>,8|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]N[5])	106.4980	0.000	1	106.4980	0.000	1	107.5690	2.294	2	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[5]-3:H-1:	C[6]-4:C[5]-4:C[5]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H)	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	H(C[6]C[6,6]C[6]N[5])	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6]C[6,6]C[6]N[5])	108.6400	0.000	1	108.6400	0.000	1	107.5690	2.294	2	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,3|C<4>,6|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|C<3>,1|C<4>,8|H<1>}	H(C[6]C[6]2N[5])	108.3985	0.285	2	108.3985	0.081	2	107.2564	1.241	18	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H)	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]O[6]CH)(N[5]C[5]2)(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[5])	107.4510	0.000	1	107.4510	0.000	1	107.2564	1.241	18	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,3|C<4>,7|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){2|C<4>,8|H<1>}	H(C[6]C[6]2N[5])	107.8354	0.891	5	107.8354	0.794	5	107.2564	1.241	18	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){3|C<4>,8|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6]2N[5])	108.2370	0.154	2	108.2370	0.024	2	107.2564	1.241	18	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|C<3>,3|C<4>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2N[5])	105.4037	0.167	3	105.4037	0.028	3	107.2564	1.241	18	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HN)(C[6]N[6]HH)(N[5]C[5]2)(H){1|C<3>,4|C<4>,5|H<1>}	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,2|N<3>,7|H<1>}	H(C[6]C[6]2N[5])	106.6100	0.000	1	106.6100	0.000	1	107.2564	1.241	18	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]HS)(C[6]O[6]HO)(N[5]C[5]2)(H){1|O<2>,3|C<4>,5|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|O<2>,6|H<1>}	H(C[6]C[6]2N[5])	106.7680	0.014	2	106.7680	0.000	2	107.2564	1.241	18	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774
466	542	951	0:SP3_SP-NON_SP3	C[6]	N[5]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[5])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){5|C<4>,8|H<1>}	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2N[5])	107.1800	0.559	2	107.1800	0.312	2	107.2564	1.241	18	107.2877	1.241	20	107.2102	1.225	37	109.1214	1.791	774