466	643	952	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:3:4:1:	3:3:4:	4:3:1:1:	C[6,6a]-3:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS)	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)2	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	110.1640	0.000	1	111.0476	3.618	7	109.7382	6.870	10
466	643	952	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:4:4:1:	3:3:4:	4:3:1:1:	C[6,6a]-3:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)2	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	111.0476	3.618	7	109.7382	6.870	10
466	643	952	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:4:4:1:	3:4:3:	4:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	109.8170	0.042	2	110.4980	0.625	4	110.4980	0.625	4	110.4980	0.625	4	111.0476	3.618	7	109.7382	6.870	10
466	643	952	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:4:4:1:	3:4:3:	4:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	111.1790	0.137	2	110.4980	0.625	4	110.4980	0.625	4	110.4980	0.625	4	111.0476	3.618	7	109.7382	6.870	10
466	643	952	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	4:3:4:1:	3:3:4:	4:3:1:1:	C[5,6]-4:C[6,6a]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	111.0476	3.618	7	109.7382	6.870	10
466	643	952	0:SP3_SP2_SP3	C[6]	C[6a]	S	3:4:4:4:	3:3:4:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)2	106.3950	0.000	1	106.6830	0.062	3	106.6830	0.062	3	106.6830	0.062	3	106.6830	0.062	3	109.7382	6.870	10
466	643	952	0:SP3_SP2_SP3	C[6]	C[6a]	S	3:4:4:4:	3:3:4:	4:3:1:1:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|F<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)2	106.8270	0.000	2	106.6830	0.062	3	106.6830	0.062	3	106.6830	0.062	3	106.6830	0.062	3	109.7382	6.870	10
466	643	956	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	113.4539	1.636	12	113.2901	1.994	29	113.2901	1.994	29	113.2901	1.994	29	113.2901	1.994	29	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N	3:3:3:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-3:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	113.1744	1.271	17	113.2901	1.994	29	113.2901	1.994	29	113.2901	1.994	29	113.2901	1.994	29	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	113.0360	0.000	1	108.6460	7.602	8	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N	3:4:2:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	106.0885	0.821	2	106.0885	0.674	2	106.8510	2.081	3	106.8510	2.081	3	108.6460	7.602	8	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N	3:4:2:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<2>,1|S<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	108.3760	0.000	1	108.3760	0.000	1	106.8510	2.081	3	106.8510	2.081	3	108.6460	7.602	8	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	108.0500	0.247	2	108.0500	0.061	2	109.5837	7.087	3	109.5837	7.087	3	108.6460	7.602	8	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	112.6510	0.000	1	112.6510	0.000	1	109.5837	7.087	3	109.5837	7.087	3	108.6460	7.602	8	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N	3:4:4:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	106.8280	0.000	1	108.6460	7.602	8	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	111.6380	0.000	1	111.6380	0.000	1	111.6380	0.000	1	111.8644	0.975	5	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	110.6260	0.000	1	110.6260	0.000	1	110.6260	0.000	1	111.8644	0.975	5	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6]H)(CNO)(H)	113.2910	0.000	1	113.2910	0.000	1	112.3527	0.801	3	111.8644	0.975	5	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|H<1>,3|C<3>}	N(C[6]C[6,6a]N[6]H)(CCO)(H)	112.2580	0.000	1	112.2580	0.000	1	112.3527	0.801	3	111.8644	0.975	5	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|H<1>,3|C<3>}	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	111.5090	0.000	1	111.5090	0.000	1	112.3527	0.801	3	111.8644	0.975	5	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:2:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	113.2480	0.000	1	113.2480	0.000	1	113.8775	0.793	2	113.8775	0.793	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:2:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6]H)(COO)(NC)	114.5070	0.000	1	114.5070	0.000	1	113.8775	0.793	2	113.8775	0.793	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	110.9270	0.614	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	110.9270	0.614	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	109.4280	0.000	1	109.4280	0.000	1	109.4280	0.000	1	111.3075	7.065	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	113.1870	0.000	1	113.1870	0.000	1	113.1870	0.000	1	111.3075	7.065	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2H)(CCO)(H)	109.2311	1.639	12	109.2311	2.687	12	109.6522	2.587	16	109.8494	2.840	20	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	110.8705	0.842	2	110.8705	0.709	2	109.6522	2.587	16	109.8494	2.840	20	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	110.9605	0.104	2	110.9605	0.011	2	109.6522	2.587	16	109.8494	2.840	20	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	111.3590	3.144	2	111.3590	9.883	2	111.3590	9.883	2	109.8494	2.840	20	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	109.9175	0.302	2	109.9175	0.091	2	109.9175	0.091	2	109.8494	2.840	20	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:3:1:	3:4:3:	4:4:1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]N[6,6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,4|C<4>}	N(C[6]C[6,6a]N[6,6]H)(SC[6a]OO)(H)	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:4:3:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	110.1530	0.693	2	110.1530	0.480	2	110.1530	0.480	2	110.1530	0.480	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:4:3:	3:4:3:	4:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2C)(O)2	105.2050	0.267	2	105.2050	0.071	2	104.9032	0.292	4	104.9032	0.292	4	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:4:3:	3:4:3:	4:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	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[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N(C[6]C[6,6a]2C)(O)2	104.6015	0.663	2	104.6015	0.439	2	104.9032	0.292	4	104.9032	0.292	4	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	111.6515	0.211	2	111.6515	0.045	2	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	113.9090	0.000	1	113.9090	0.000	1	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	110.3410	0.124	2	110.3410	0.015	2	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	108.7950	0.000	1	108.7950	0.000	1	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CCH)(H)	110.4610	0.905	2	110.4610	0.819	2	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CNO)(H)	112.2310	0.775	3	112.2310	0.600	3	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	113.6090	0.000	1	113.6090	0.000	1	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|O<2>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	111.8460	0.000	1	111.8460	0.000	1	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)(H)	110.9390	0.000	1	110.9390	0.000	1	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){3|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	110.3300	0.000	1	110.3300	0.000	1	111.4019	1.986	15	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	115.1620	0.000	1	112.8517	7.524	3	112.0220	5.446	5	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	111.6965	2.654	2	112.8517	7.524	3	112.0220	5.446	5	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	111.6640	0.000	1	111.6640	0.000	1	112.0220	5.446	5	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	109.8910	0.000	1	109.8910	0.000	1	112.0220	5.446	5	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	111.6930	0.000	1	111.6930	0.000	1	112.8715	2.778	2	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	114.0500	0.000	1	114.0500	0.000	1	112.8715	2.778	2	111.5044	3.269	23	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:N[5]-3:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(PC[6a]2S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(PC[6a]2S)(H)	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.5557	0.187	3	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	110.7690	0.000	1	110.7690	0.000	1	110.4135	0.253	2	110.5557	0.187	3	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SO3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(SO3)(H)	110.0580	0.000	1	110.0580	0.000	1	110.4135	0.253	2	110.5557	0.187	3	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:P-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	112.7085	0.497	2	112.7085	0.247	2	112.7085	0.247	2	112.7085	0.247	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	112.0205	0.671	2	112.0205	0.450	2	112.0205	0.450	2	112.0205	0.450	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	115.2940	0.000	1	115.2940	0.000	1	115.2940	0.000	1	114.2495	2.182	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	114.2495	2.182	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	112.6150	0.000	1	110.0835	12.817	2	110.0835	12.817	2	110.0835	12.817	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	107.5520	0.000	1	110.0835	12.817	2	110.0835	12.817	2	110.0835	12.817	2	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	4:3:3:1:	3:4:3:	4:4:1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	110.7556	5.564	74	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6a]	N	3:4:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6]C[6a]C[6]2)(O)2	105.7395	1.404	2	105.7395	1.970	2	105.7395	1.970	2	105.7395	1.970	2	109.1947	5.945	7	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6a]	N	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(SC[6a]OO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<4>,2|C<3>,5|H<1>}	N(C[6]C[6a]C[6]2)(SC[6a]OO)(H)	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	109.1947	5.945	7	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	110.8035	0.131	2	110.8035	0.017	2	110.6683	0.034	4	110.6683	0.034	4	109.1947	5.945	7	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	110.6120	0.000	1	110.6120	0.000	1	110.6683	0.034	4	110.6683	0.034	4	109.1947	5.945	7	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP2	C[6]	C[6a]	N	4:3:3:3:	3:3:4:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(CCO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6a]C[6]2)(CCO)(H)	110.4540	0.000	1	110.4540	0.000	1	110.6683	0.034	4	110.6683	0.034	4	109.1947	5.945	7	111.1429	6.600	118
466	643	956	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N	3:3:4:3:	4:3:3:	4:1:1:	C[6,6a]-3:C[6,6]-3:C[6]-4:N-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	N(C[6,6]C[6,6a]C[6,6]C[6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	N(C[6,6]C[6,6a]C[6,6]C[6])(H)2	107.7799	0.780	8	107.7799	0.608	8	107.7799	0.608	8	107.7799	0.608	8	107.7799	0.608	8	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:2:3:1:	3:3:4:	4:4:4:	C[6,6a]-3:O[6]-2:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN)	N(C[6]C[6,6a]O[6]H)(CCCH)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN){1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]O[6]H)(CCCH)2	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	111.8160	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:2:3:	3:4:3:	4:1:1:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[6a]O[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6a]O[6])(H)2	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){3|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	109.4030	0.000	1	109.4030	0.000	1	109.4030	0.000	1	110.1690	1.174	2	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.1690	1.174	2	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6,6a]-3:C[6]-3:N-3:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN)	N(C[6]C[6,6a]C[6]F)(SC[6a]OO)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	N(C[6]C[6,6a]C[6]F)(SC[6a]OO)2	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	110.5877	1.095	3	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	110.0425	0.639	2	110.0425	0.408	2	110.0425	0.408	2	110.5877	1.095	3	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	109.3925	2.139	2	109.3925	4.575	2	109.3925	4.575	2	109.3925	4.575	2	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:3:	3:4:3:	4:4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	110.0215	2.562	2	110.0215	6.563	2	111.2061	7.276	19	111.2061	7.276	19	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	111.3971	2.835	16	111.3971	8.036	16	111.2061	7.276	19	111.2061	7.276	19	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	110.5180	0.000	1	110.5180	0.000	1	111.2061	7.276	19	111.2061	7.276	19	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5a]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N(N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|S<4>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(H)2	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CNO)(H)	112.0690	0.000	1	112.0690	0.000	1	111.4140	0.858	2	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(COO)(H)	110.7590	0.000	1	110.7590	0.000	1	111.4140	0.858	2	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	112.7980	0.000	1	112.7980	0.000	1	111.0230	6.301	2	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN){1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	109.2480	0.000	1	109.2480	0.000	1	111.0230	6.301	2	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(NCH)(H)	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	107.6380	0.000	1	107.6380	0.000	1	110.7596	3.998	5	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	110.9810	0.658	2	110.9810	0.432	2	110.7596	3.998	5	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	113.1310	0.000	1	113.1310	0.000	1	110.7596	3.998	5	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]O)(H)	111.0670	0.000	1	111.0670	0.000	1	110.7596	3.998	5	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H){2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN){1|C<4>,4|C<3>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(SCO)(H)	106.6740	1.042	4	106.6740	1.085	4	106.6740	1.085	4	109.6910	5.898	15	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	109.9507	0.820	4	109.9507	0.673	4	109.9507	0.673	4	110.5606	3.229	11	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CC[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[5]HH)(H)	107.9870	0.000	1	107.9870	0.000	1	108.0115	0.001	2	110.5606	3.229	11	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	108.0360	0.000	1	108.0360	0.000	1	108.0115	0.001	2	110.5606	3.229	11	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	111.5010	0.000	1	111.5010	0.000	1	112.0682	1.105	5	110.5606	3.229	11	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	111.3360	0.570	2	111.3360	0.325	2	112.0682	1.105	5	110.5606	3.229	11	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	113.6490	0.000	1	113.6490	0.000	1	112.0682	1.105	5	110.5606	3.229	11	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SCOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SCOO)(H)	112.5190	0.000	1	112.5190	0.000	1	112.0682	1.105	5	110.5606	3.229	11	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	114.4700	0.000	1	114.4700	0.000	1	114.4700	0.000	1	112.9670	4.518	2	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N(C[6]C[6,6a]N[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|Nb<6>,1|C<3>,1|H<1>,3|C<4>}	N(C[6]C[6,6a]N[6]H)(CH3)2	111.4640	0.000	1	111.4640	0.000	1	111.4640	0.000	1	112.9670	4.518	2	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:4:2:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a])	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a]){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	110.5390	1.836	2	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	110.5390	1.836	2	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:3:3:	3:4:2:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a])	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	103.7010	0.000	1	103.7010	0.000	1	103.7010	0.000	1	103.7010	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:4:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]C)(SCO)(H)	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	4:3:3:1:	3:4:3:	4:3:1:	C[5,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:S-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[5,6]H)(SCO)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[5,6]H)(SCO)(H)	113.7875	1.092	2	113.7875	1.194	2	113.7875	1.194	2	113.7875	1.194	2	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	4:3:3:1:	3:4:3:	4:4:1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H)	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	110.5176	6.142	69	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:3:2:3:	4:3:3:	4:1:1:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	C[6a](C[6]C[6,6a]O[6]N)(C[6a]C[6a]H)2	N(C[6]C[6,6a]C[6a]O[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]N)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6a]O[6])(H)2	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:3:3:3:	3:3:4:	4:4:4:	C[6]-3:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(CH3)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N(C[6]C[6a]C[6]2)(CH3)2	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:3:3:3:	4:3:3:	4:1:1:	C[6]-3:C[6a]-3:N[6]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH)	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2	N(C[6]C[6a]C[6]N[6])(H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6a]C[6]N[6])(H)2	112.5560	0.591	2	112.5560	0.349	2	112.5560	0.349	2	112.5560	0.349	2	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	N[6]-3:C[6]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH)	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2	N(C[6]C[6a]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N(C[6]C[6a]C[6]N[6])(COO)(H)	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	109.4520	0.000	1	105.5074	2.293	9	106.3164	8.582	10	106.3164	8.582	10	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	105.0144	0.346	8	105.5074	2.293	9	106.3164	8.582	10	106.3164	8.582	10	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	113.5970	0.000	1	113.5970	0.000	1	106.3164	8.582	10	106.3164	8.582	10	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:4:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6]C[6a]C[6]2)(H)2	114.1882	0.410	6	112.7683	8.149	10	112.7683	8.149	10	112.7683	8.149	10	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:4:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6]C[6a]C[6]2)(H)2	110.6385	3.753	4	112.7683	8.149	10	112.7683	8.149	10	112.7683	8.149	10	110.3061	16.678	27	110.2521	8.829	104
466	643	956	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:4:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6]C[6a]C[6]2)(CH3)(H)	115.2500	0.137	2	115.2500	0.019	2	115.2500	0.019	2	115.2500	0.019	2	110.3061	16.678	27	110.2521	8.829	104
466	643	961	0:SP3_SP2_SP3	C[6]	C[6a]	S[6]	3:4:4:1:	4:3:3:	4:2:1:1:	C[6a]-3:C[6]-4:S[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2{1|H<1>,1|N<3>,4|C<3>}	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	110.0228	1.390	4	110.0228	1.390	4
466	643	961	0:SP3_SP2_SP3	C[6]	C[6a]	S[6]	4:3:4:1:	4:3:3:	3:4:1:1:	S[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|O<1>,3|C<3>,4|H<1>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)2{3|H<1>,5|C<3>}	109.5880	0.899	2	109.5880	0.809	2	109.5880	0.809	2	109.5880	0.809	2	110.0228	1.390	4	110.0228	1.390	4
466	643	961	0:SP3_SP2_SP3	C[6]	C[6a]	S[6]	4:3:4:1:	4:3:3:	4:2:1:1:	C[6]-4:C[6a]-3:S[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-1:O-1:	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	S[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(O)2	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(O)2{1|H<1>,1|N<3>,4|C<3>}	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	110.0228	1.390	4	110.0228	1.390	4
466	643	961	6:SP3_SP2_SP3	C[6]	C[6,6a]	S[6]	3:4:1:1:	3:3:4:	3:4:1:1:	C[6,6a]-3:S[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH)	S[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)2	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)2{1|H<1>,1|O<2>,3|C<3>}	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1	110.4250	0.000	1
466	643	975	0:SP3_SP2_SP3	C[6]	C[6a]	Se[6]	3:2:2:1:	4:3:3:	4:4:	C[6a]-3:Se[6]-2:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H)	C[6a](C[6]Se[6]2H)(C[6a]C[6a]H)2	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]Se[6]2H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	108.6035	1.094	2	108.6035	1.197	2	108.6035	1.197	2	108.6035	1.197	2	108.4444	1.439	7	108.4444	1.439	7
466	643	975	0:SP3_SP2_SP3	C[6]	C[6a]	Se[6]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-4:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H)	C[6a](C[6]Se[6]C[6]H)(C[6a]C[6a]H)2	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]Se[6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	107.7800	1.860	2	107.7800	3.458	2	107.7800	3.458	2	107.7800	3.458	2	108.4444	1.439	7	108.4444	1.439	7
466	643	975	0:SP3_SP2_SP3	C[6]	C[6a]	Se[6]	4:3:2:1:	4:3:3:	4:4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]Se[6]P[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Se<1>,1|Se<2>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H){1|Se<1>,1|Se<2>,1|H<1>,6|C<3>}	110.0950	0.000	1	110.0950	0.000	1	108.7813	1.353	3	108.7813	1.353	3	108.4444	1.439	7	108.4444	1.439	7
466	643	975	0:SP3_SP2_SP3	C[6]	C[6a]	Se[6]	4:3:2:1:	4:3:3:	4:4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<1>,1|Se<2>,1|P<4>,2|C<3>,2|H<1>}	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H){1|Se<1>,1|Se<2>,1|H<1>,6|C<3>}	108.3660	0.000	1	108.3660	0.000	1	108.7813	1.353	3	108.7813	1.353	3	108.4444	1.439	7	108.4444	1.439	7
466	643	975	0:SP3_SP2_SP3	C[6]	C[6a]	Se[6]	4:3:2:1:	4:3:3:	4:4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)2	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	Se[6](P[6]C[6a]C[6]Se)(C[6]C[6a]P[6]H){1|Se<1>,1|Se<2>,1|H<1>,6|C<3>}	107.8830	0.000	1	107.8830	0.000	1	108.7813	1.353	3	108.7813	1.353	3	108.4444	1.439	7	108.4444	1.439	7
466	643	975	6:SP3_SP2_SP3	C[6]	C[6,6a]	Se[6]	3:2:1:1:	3:4:3:	4:3:	C[6,6a]-3:Se[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H)	Se[6](C[6]C[6,6a]HH)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>}	Se[6](C[6]C[6,6a]HH)(C[6]S[6]C){2|C<3>}	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1
466	643	977	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	S	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(S)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	S(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(S){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	S(C[3x6]C[6,6,6a]3)	114.9577	0.135	3	114.9577	0.018	3	114.9577	0.018	3	114.9577	0.018	3	114.9577	0.018	3	114.9577	0.018	3
466	643	983	0:SP3_SP1_SP2	C[3x6]	C[6,6,6a]	C	3:3:2:2:	4:3:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C(C[3x6]C[6,6,6a]2O[6,6])(CSi)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|O<2>,7|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(CSi)	120.2200	0.768	2	120.2200	0.590	2	116.1435	22.525	4	116.1435	22.525	4	113.7691	2.966	48	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[3x6]	C[6,6,6a]	C	3:3:2:2:	4:3:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]2O[6,6])(CSi)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C(C[3x6]C[6,6,6a]2O[6,6])(CSi)	112.0670	0.717	2	112.0670	0.514	2	116.1435	22.525	4	116.1435	22.525	4	113.7691	2.966	48	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:2:	3:4:3:	4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:P-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CP)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]3)(P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CP){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]3)(P)	113.5308	0.286	6	113.5308	0.082	6	113.5308	0.082	6	113.5308	0.082	6	113.7691	2.966	48	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:2:	3:4:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]3)(CC)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]3)(CC)	113.4667	1.311	6	113.5120	1.066	27	113.5438	1.319	36	113.5438	1.319	36	113.7691	2.966	48	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:2:	3:4:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]3)(CC)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]3)(CC)	113.5250	0.977	21	113.5120	1.066	27	113.5438	1.319	36	113.5438	1.319	36	113.7691	2.966	48	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:2:	3:4:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]3)(CC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]3)(CC[6a])	113.6392	1.515	9	113.6392	2.296	9	113.5438	1.319	36	113.5438	1.319	36	113.7691	2.966	48	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:2:	4:3:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]2C[6,6])(CC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(CC[6a])	113.7900	0.713	2	113.7900	0.508	2	113.7900	0.508	2	113.7900	0.508	2	113.7691	2.966	48	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:2:4:2:	3:3:4:	4:2:	C[6,6a]-3:O[6]-2:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	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[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){1|Cl<1>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]O[6]C)(CC[3])	112.5945	0.172	2	112.5945	0.030	2	112.5945	0.030	2	112.5945	0.030	2	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(N)	111.0980	0.000	1	111.0980	0.000	1	109.5272	1.093	13	109.5272	1.093	13	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	109.2610	0.000	1	109.2610	0.000	1	109.5272	1.093	13	109.5272	1.093	13	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	107.8680	0.000	1	109.4422	1.040	5	109.5272	1.093	13	109.5272	1.093	13	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	109.0270	0.000	1	109.4422	1.040	5	109.5272	1.093	13	109.5272	1.093	13	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	110.1053	0.307	3	109.4422	1.040	5	109.5272	1.093	13	109.5272	1.093	13	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	109.7980	0.000	1	109.7154	0.724	5	109.5272	1.093	13	109.5272	1.093	13	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	109.6947	0.981	4	109.7154	0.724	5	109.5272	1.093	13	109.5272	1.093	13	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Si<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(N)	107.7070	0.000	1	107.7070	0.000	1	109.5272	1.093	13	109.5272	1.093	13	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CC[6a])	111.2100	0.544	2	111.2100	0.296	2	111.7817	1.129	3	111.7817	1.129	3	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,1|C<3>,1|S<4>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(CC[6a])	112.9250	0.000	1	112.9250	0.000	1	111.7817	1.129	3	111.7817	1.129	3	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:1:	3:4:3:	4:2:	C[5a,6]-3:C[6,6a]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C)	C(C[6]C[5a,6]C[6,6a]H)(CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6,6a]H)(CH)	110.2955	0.872	2	110.2955	0.760	2	110.2955	0.760	2	110.2955	0.760	2	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-2:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(N)	108.2190	0.310	2	108.2190	0.096	2	108.2190	0.096	2	108.2190	0.096	2	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO)	C(C[6]C[6,6a]2O)(CSi)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO){1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6a]2O)(CSi)	109.3585	1.159	2	109.3585	1.343	2	109.3585	1.343	2	109.3183	0.812	6	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6,6a]-3:C[6]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(CH)	109.2982	0.951	4	109.2982	0.905	4	109.2982	0.905	4	109.3183	0.812	6	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:4:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C(C[6]C[6,6a]2O)(CH)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2O)(CH)	108.9125	0.737	4	108.9125	0.543	4	108.4814	1.393	30	108.4814	1.393	30	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:4:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br)	C(C[6]C[6,6a]2O)(CSi)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]2O)(CSi)	109.1620	0.000	1	109.1620	0.000	1	108.4814	1.393	30	108.4814	1.393	30	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:4:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl)	C(C[6]C[6,6a]2O)(CH)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2O)(CH)	109.3921	0.353	8	109.3921	0.124	8	108.4814	1.393	30	108.4814	1.393	30	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:4:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C(C[6]C[6,6a]2O)(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2O)(CC[6a])	109.3115	0.708	4	109.3115	0.502	4	108.4814	1.393	30	108.4814	1.393	30	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:4:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C(C[6]C[6,6a]2O)(CH)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2O)(CH)	108.7343	0.549	4	107.4990	1.156	12	108.4814	1.393	30	108.4814	1.393	30	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:4:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C(C[6]C[6,6a]2O)(CH)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]2O)(CH)	106.8814	0.617	8	107.4990	1.156	12	108.4814	1.393	30	108.4814	1.393	30	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:2:2:	3:4:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C(C[6]C[6,6a]2O)(CSi)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2O)(CSi)	107.2590	0.000	1	107.2590	0.000	1	108.4814	1.393	30	108.4814	1.393	30	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(N)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2C)(N)	107.2145	1.686	2	106.2083	1.338	10	106.2083	1.338	10	106.2083	1.338	10	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(N)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(N)	106.2387	1.298	4	106.2083	1.338	10	106.2083	1.338	10	106.2083	1.338	10	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(N)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2C)(N)	105.6748	0.568	4	106.2083	1.338	10	106.2083	1.338	10	106.2083	1.338	10	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:4:3:	4:2:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6a]N[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(CC[6a])	106.0270	0.000	1	106.0270	0.000	1	106.0270	0.000	1	106.0270	0.000	1	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6a])(N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6a])(N)	106.0085	1.662	2	106.0085	2.764	2	106.0085	2.764	2	106.0085	2.764	2	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(N)	107.3850	0.262	2	107.3850	0.068	2	107.3254	0.643	5	107.3254	0.643	5	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(N)	108.5710	0.000	1	108.5710	0.000	1	107.3254	0.643	5	107.3254	0.643	5	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	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[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(N)	106.6430	0.112	2	106.6430	0.012	2	107.3254	0.643	5	107.3254	0.643	5	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6])(N)	110.9740	0.863	2	110.9740	0.744	2	110.1675	1.117	4	110.1675	1.117	4	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6])(N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6])(N)	109.3610	0.062	2	109.3610	0.004	2	110.1675	1.117	4	110.1675	1.117	4	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:4:2:	4:3:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6])(CC[6a])	111.5600	0.363	2	111.5600	0.132	2	111.7440	0.252	6	111.7440	0.252	6	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:3:4:2:	4:3:3:	4:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6])(CSi)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6])(CSi)	111.8360	0.585	4	111.8360	0.343	4	111.7440	0.252	6	111.7440	0.252	6	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(N)	110.5360	0.000	1	110.5360	0.000	1	110.1773	0.211	4	110.1773	0.211	4	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C(C[6]C[6,6a]C[6]H)(N)	110.4040	0.000	1	110.4040	0.000	1	110.1773	0.211	4	110.1773	0.211	4	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(N)	110.2590	0.000	1	109.8845	0.281	2	110.1773	0.211	4	110.1773	0.211	4	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(N)	109.5100	0.000	1	109.8845	0.281	2	110.1773	0.211	4	110.1773	0.211	4	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:1:	3:3:4:	4:2:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CH)	110.9960	0.236	3	110.9960	0.056	3	110.9960	0.056	3	110.9960	0.056	3	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(N)	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:1:	3:4:3:	4:2:	C[6,6a]-3:C[6,6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(CC[6a])	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<2>,2|C<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(N)	110.4260	1.556	2	110.4260	2.420	2	109.7350	2.732	6	109.7350	2.732	6	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(N)	109.4930	2.762	2	109.3895	3.270	4	109.7350	2.732	6	109.7350	2.732	6	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6a]C[6]C)(N)	109.2860	1.462	2	109.3895	3.270	4	109.7350	2.732	6	109.7350	2.732	6	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:2:2:	3:4:3:	4:2:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]O)(CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6,6a]C[5,6]O)(CH)	108.3955	0.121	2	108.3955	0.015	2	108.3955	0.015	2	108.3955	0.015	2	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6,6a]C[6]2)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]2)(N)	102.9370	0.000	1	102.9370	0.000	1	102.9370	0.000	1	102.9370	0.000	1	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6,6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6,6a]C[6]2)(N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[6,6a]C[6]2)(N)	106.9740	0.375	2	106.9740	0.140	2	106.9740	0.140	2	106.9740	0.140	2	108.9456	3.954	106	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6a])(N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6a])(N)	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	109.2399	3.761	10	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:3:3:2:	4:3:3:	4:2:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6a]N[6])(CC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(CC[6a])	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	109.2399	3.761	10	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6a]C[6]2)(N)	108.3480	2.278	2	108.3480	5.191	2	108.3480	5.191	2	109.2397	4.981	3	109.2399	3.761	10	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){4|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(N)	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	109.2397	4.981	3	109.2399	3.761	10	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:4:3:2:	3:3:4:	4:2:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(CC[6a])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(CC[6a])	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	112.9080	0.000	1	109.2399	3.761	10	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(N)	108.5790	0.000	1	108.5790	0.000	1	108.1923	0.342	3	108.1923	0.342	3	109.2399	3.761	10	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(N)	108.4780	0.000	1	108.4780	0.000	1	108.1923	0.342	3	108.1923	0.342	3	109.2399	3.761	10	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(N)	107.5200	0.000	1	107.5200	0.000	1	108.1923	0.342	3	108.1923	0.342	3	109.2399	3.761	10	110.3753	8.410	164
466	643	983	0:SP3_SP1_SP2	C[6]	C[6a]	C	3:4:4:2:	3:4:2:	4:1:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:N-1:	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a])	C(C[6]C[6a]C[6]2)(N)	C[6](C[6a]C[5a,6a]N[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(CN){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6]C[6]2C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6a]C[6]2)(N)	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	109.2399	3.761	10	110.3753	8.410	164
466	643	992	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	P	3:3:4:4:	4:3:3:	4:2:2:1:	C[6,6a]-3:N[6,6]-3:C[6]-4:P-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:O-2:O-2:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3)	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3){1|H<1>,1|O<2>,3|O<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	110.6299	11.123	8
466	643	992	0:SP3_SP2_SP3	C[6]	C[6,6a]	P	3:3:2:4:	3:4:3:	4:2:2:1:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H)	P(C[6]C[6,6a]C[6a]N[6])(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	P(C[6]C[6,6a]C[6a]N[6])(OC)2(O)	104.9910	0.000	1	104.9910	0.000	1	104.9910	0.000	1	104.9910	0.000	1	110.6845	12.429	6	110.6299	11.123	8
466	643	992	0:SP3_SP2_SP3	C[6]	C[6,6a]	P	3:3:4:1:	3:3:4:	4:2:2:1:	C[6,6a]-3:N[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP)	P(C[6]C[6,6a]N[6]H)(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP){2|H<1>,3|C<3>}	P(C[6]C[6,6a]N[6]H)(OC)2(O)	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	110.6845	12.429	6	110.6299	11.123	8
466	643	992	0:SP3_SP2_SP3	C[6]	C[6,6a]	P	3:3:4:1:	3:4:3:	4:2:2:1:	C[5a,6]-3:C[6,6a]-3:P-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-2:O-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H)	P(C[6]C[5a,6]C[6,6a]H)(OC)2(O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H){2|H<1>,4|C<3>}	P(C[6]C[5a,6]C[6,6a]H)(OC)2(O)	110.4155	0.108	2	110.4155	0.012	2	110.4155	0.012	2	110.4155	0.012	2	110.6845	12.429	6	110.6299	11.123	8
466	643	992	0:SP3_SP2_SP3	C[6]	C[6,6a]	P	3:3:4:4:	3:3:4:	4:2:2:1:	C[6,6a]-3:N[6]-3:C-4:P-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	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[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP)	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[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	P(C[6]C[6,6a]N[6]C)(OC)2(O)	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	110.6845	12.429	6	110.6299	11.123	8
466	643	992	0:SP3_SP2_SP3	C[6]	C[6,6a]	P	3:4:4:1:	3:3:4:	4:3:3:1:	C[6,6a]-3:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP)	P(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	P(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(O)	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	110.6845	12.429	6	110.6299	11.123	8
466	643	992	0:SP3_SP2_SP3	C[6]	C[6a]	P	3:3:2:4:	4:3:3:	4:2:2:1:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	C[6a](C[6]C[6,6a]N[6]P)(C[6a]C[6a]H)2	P(C[6]C[6,6a]C[6a]N[6])(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]P)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	P(C[6]C[6,6a]C[6a]N[6])(OC)2(O)	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	110.6299	11.123	8
466	643	999	0:SP3_SP2_SP3	C[6]	C[6,6a]	N[5]	3:4:4:1:	3:4:3:	4:4:4:1:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5]-4:C[5]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|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<3>,3|C<4>,7|H<1>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,5,6]	4:3:1:1:	3:4:3:	5:4:4:4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	In[5,6,6]-5:C[5,5]-4:C[6]-4:C[5]-4:	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	N[5,5,6](In[5,6,6]N[5,5,6]O[6]2Cl)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|N<4>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	N[5,5,6](In[5,6,6]N[5,5,6]O[6]2Cl)(C[5,5]C[5,5]C[5]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){3|C<3>,3|C<4>,5|H<1>}	111.6970	1.899	2	111.6970	3.607	2	111.6970	3.607	2	111.6970	3.607	2	113.5182	6.728	4	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,5,6]	4:3:1:1:	3:4:3:	6:4:4:4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Ga[4x5,6,6]-6:C[6]-4:C[5]-4:C[5]-4:	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,3|N<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,2|C<4>,2|H<1>}	N[5,5,6](Ga[4x5,6,6]N[5,5,6]N[5,5]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)2{3|C<3>,5|C<4>,6|H<1>}	115.3395	1.819	2	115.3395	3.310	2	115.3395	3.310	2	115.3395	3.310	2	113.5182	6.728	4	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6,6]	4:3:1:1:	3:4:3:	7:4:4:4:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Nb[3,5,6,6]-7:C[6]-4:C[6]-4:C[5]-4:	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	N[5,6,6](Nb[3,5,6,6]C[3]2N[5]O[6]2Cl)(C[6]C[6,6a]HH)2(C[5]C[5]HH)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,2|C<4>,2|H<1>}	N[5,6,6](Nb[3,5,6,6]C[3]2N[5]O[6]2Cl)(C[6]C[6,6a]HH)2(C[5]C[5]HH){2|H<1>,4|C<3>,4|C<4>}	116.3720	1.770	4	116.3795	2.696	6	116.3795	2.696	6	116.3795	2.696	6	116.3795	2.696	6	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6,6]	4:3:1:1:	3:4:3:	7:4:4:4:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Nb[3,5,6,6]-7:C[6]-4:C[6]-4:C[5]-4:	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	N[5,6,6](Nb[3,5,6,6]C[3]2N[5]O[6]2Cl)(C[6]C[6,6a]HH)2(C[5]C[5]HH)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	N[5,6,6](Nb[3,5,6,6]C[3]2N[5]O[6]2Cl)(C[6]C[6,6a]HH)2(C[5]C[5]HH){2|H<1>,4|C<3>,4|C<4>}	116.3945	2.020	2	116.3795	2.696	6	116.3795	2.696	6	116.3795	2.696	6	116.3795	2.696	6	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	3:4:1:1:	3:4:3:	4:4:4:4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:B[6]-4:C[5]-4:C[5]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,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|B<4>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6]C[6,6a]HH)(B[6]N[6]FF)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	112.4620	0.919	3	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	3:4:1:1:	3:4:3:	4:4:4:4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2{1|Cl<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<4>,1|C<3>,4|C<4>}	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	113.4580	0.000	1	113.4580	0.000	1	113.4580	0.000	1	112.4620	0.919	3	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	3:4:1:1:	3:4:3:	4:4:4:4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:In[6]-4:C[5]-4:C[5]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](C[6]C[6,6a]HH)(In[6]O[6]IO)(C[5]C[5]2H)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2{1|I<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<4>,1|C<3>,4|C<4>}	N[5,6](C[6]C[6,6a]HH)(In[6]O[6]IO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	112.4620	0.919	3	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	3:4:1:1:	3:4:3:	5:4:4:4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Ga[5,6]-5:C[6]-4:C[5]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2{1|O<3>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,2|C<4>,2|H<1>}	N[5,6](Ga[5,6]O[5]O[6]OO)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CCHH){1|O<1>,2|C<3>}	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	112.0935	1.340	2	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	3:4:1:1:	3:4:3:	5:4:4:4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	In[5,6]-5:C[6]-4:C[5]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](In[5,6]N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	N[5,6](In[5,6]N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	112.0935	1.340	2	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	4:3:1:1:	3:3:4:	4:4:4:1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	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](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,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|C<3>,1|O<2>,2|H<1>,4|C<4>}	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){2|C<3>,2|C<4>,4|H<1>}	110.7350	0.000	1	111.3947	0.371	3	111.3947	0.371	3	111.3947	0.371	3	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	4:3:1:1:	3:3:4:	4:4:4:1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	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](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,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|O<2>,2|C<3>,2|H<1>,3|C<4>}	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){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.7245	0.299	2	111.3947	0.371	3	111.3947	0.371	3	111.3947	0.371	3	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	4:3:1:1:	3:4:3:	4:4:4:1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6]-4:C[5]-4:O-1:	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	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)(O)	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	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)(O){1|C<4>,3|C<3>,3|H<1>}	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	4:3:1:1:	3:4:3:	5:4:4:1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	In[5,6]-5:C[5,6]-4:C[6]-4:H-1:	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](In[5,6]N[5]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,1|H<1>,3|C<4>}	N[5,6](In[5,6]N[5]O[6]Cl2)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	112.3265	0.176	2	112.3265	0.031	2	112.3265	0.031	2	112.3265	0.031	2	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	4:3:1:1:	3:4:3:	5:4:4:4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	In[5,6,6]-5:C[6]-4:C[5]-4:C-4:	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	113.4495	0.930	2	113.4495	0.865	2	113.4495	0.865	2	113.4495	0.865	2	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	4:3:1:1:	3:4:3:	6:4:4:1:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Ga[3x5,6,6]-6:C[6]-4:C[5]-4:H-1:	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|C<4>,3|H<1>}	N[5,6](Ga[3x5,6,6]N[3x5]N[5,6]2O[6]2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){3|H<1>,4|C<4>,5|C<3>}	112.3607	1.577	4	112.3607	2.487	4	112.3607	2.487	4	112.3607	2.487	4	112.3982	1.522	18	113.4113	4.849	28
466	643	999	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[5,6]	4:3:1:1:	3:4:3:	7:4:4:4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Nb[3,5,6]-7:C[6]-4:C[5]-4:C-4:	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[5,6](Nb[3,5,6]C[3]2N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3)	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,3|H<1>,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|Nb<7>,1|C<3>,4|C<4>}	N[5,6](Nb[3,5,6]C[3]2N[5]O[6]Cl2)(C[6]C[6,6a]HH)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>,4|C<4>}	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	112.3982	1.522	18	113.4113	4.849	28
466	654	654	6:SP3_SP3_SP3	C[6,6]	B[3,6,6]	B[3,6,6]	4:4:1:1:	6:5:4:1:	6:5:4:1:	B[3,6,6]-4:B[3,6,6]-4:H-1:H-1:	B[4x3,5,6,6]-6:C[3,3]-5:C[6,6]-4:H-1:	B[4x3,5,6,6]-6:C[3,3]-5:C[6,6]-4:H-1:	C[6,6](B[3,6,6]B[4x3,5,6,6]C[3,3]H)2(H)2	B[3,6,6](B[4x3,5,6,6]B[3,3,5,6]B[4x3,5]B[5x3,6]C[3,3]H)(C[3,3]B[4x3,5,6,6]B[4x3,5]HH)(C[6,6]B[3,6,6]HH)(H)	B[3,6,6](B[4x3,5,6,6]B[3,3,5,6]B[4x3,5]B[5x3,6]C[3,3]H)(C[3,3]B[4x3,5,6,6]B[4x3,5]HH)(C[6,6]B[3,6,6]HH)(H)	C[6,6](B[3,6,6]B[4x3,5,6,6]C[3,3]H)2(H)2{1|B<4>,3|B<6>,6|H<1>}	B[3,6,6](B[4x3,5,6,6]B[3,3,5,6]B[4x3,5]B[5x3,6]C[3,3]H)(C[3,3]B[4x3,5,6,6]B[4x3,5]HH)(C[6,6]B[3,6,6]HH)(H){1|C<5>,1|H<2>,2|B<6>,4|H<1>}	B[3,6,6](B[4x3,5,6,6]B[3,3,5,6]B[4x3,5]B[5x3,6]C[3,3]H)(C[3,3]B[4x3,5,6,6]B[4x3,5]HH)(C[6,6]B[3,6,6]HH)(H){1|C<5>,1|H<2>,2|B<6>,4|H<1>}	101.6750	0.000	1	101.6750	0.000	1	101.6750	0.000	1	101.6750	0.000	1	101.6750	0.000	1	101.6750	0.000	1
466	654	951	0:SP3_SP-NON_SP3	C[6,6]	B[3,6,6]	H	4:4:1:1:	6:5:4:1:	4:	B[3,6,6]-4:B[3,6,6]-4:H-1:H-1:	B[4x3,5,6,6]-6:C[3,3]-5:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](B[3,6,6]B[4x3,5,6,6]C[3,3]H)2(H)2	B[3,6,6](B[4x3,5,6,6]B[3,3,5,6]B[4x3,5]B[5x3,6]C[3,3]H)(C[3,3]B[4x3,5,6,6]B[4x3,5]HH)(C[6,6]B[3,6,6]HH)(H)	H(C[6,6]B[3,6,6]2H)	C[6,6](B[3,6,6]B[4x3,5,6,6]C[3,3]H)2(H)2{1|B<4>,3|B<6>,6|H<1>}	B[3,6,6](B[4x3,5,6,6]B[3,3,5,6]B[4x3,5]B[5x3,6]C[3,3]H)(C[3,3]B[4x3,5,6,6]B[4x3,5]HH)(C[6,6]B[3,6,6]HH)(H){1|C<5>,1|H<2>,2|B<6>,4|H<1>}	H(C[6,6]B[3,6,6]2H)	111.6040	5.957	2	111.6040	35.482	2	111.6040	35.482	2	111.6040	35.482	2	110.0153	15.212	4	110.0153	15.212	4
466	654	951	0:SP3_SP-NON_SP3	C[6,6]	B[3,6,6]	H	4:4:4:1:	4:5:4:4:	4:	B[3,6,6]-4:C[6]-4:C[6]-4:H-1:	B[3]-4:B[3]-5:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](B[3,6,6]C[6,6]B[3]2)(C[6]C[6]HH)2(H)	B[3,6,6](B[3]C[5a]B[3]C[5])(B[3]B[3]C[5]HH)(C[6,6]C[6]2H)2	H(C[6,6]B[3,6,6]C[6]2)	C[6,6](B[3,6,6]C[6,6]B[3]2)(C[6]C[6]HH)2(H){2|C<4>,3|C<3>,7|H<1>}	B[3,6,6](B[3]C[5a]B[3]C[5])(B[3]B[3]C[5]HH)(C[6,6]C[6]2H)2{1|C<3>,1|S<2>,2|C<4>,4|N<3>,8|H<1>}	H(C[6,6]B[3,6,6]C[6]2)	108.4265	0.240	2	108.4265	0.057	2	108.4265	0.057	2	108.4265	0.057	2	110.0153	15.212	4	110.0153	15.212	4
466	658	658	6:SP3_SP3_SP3	C[3x6]	Si[6,6]	Si[6,6]	4:4:4:1:	3:4:4:4:	3:4:4:4:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:C-4:C-4:	N[6,6]-3:C[3x6]-4:C-4:C-4:	C[3x6](Si[6,6]N[6,6]CC)3(H)	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2	C[3x6](Si[6,6]N[6,6]CC)3(H){1|B<3>,3|C<3>}	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2{2|C<3>,2|N<3>,4|C<4>}	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2{2|C<3>,2|N<3>,4|C<4>}	107.4597	0.625	3	107.4597	0.390	3	107.4597	0.390	3	107.4597	0.390	3	107.4597	0.390	3	115.4788	22.434	19
466	658	658	6:SP3_SP3_SP3	C[6]	Si[6]	Si[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)2(H)2	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2	Si[6](C[6]Si[6]HH)2(Cl)2	C[6](Si[6]C[6]Cl2)2(H)2{1|Si<4>,3|H<1>}	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2{4|Cl<1>,1|C<4>}	Si[6](C[6]Si[6]HH)2(Cl)2{4|Cl<1>,1|C<3>}	115.4185	1.285	2	115.4185	1.651	2	115.4185	1.651	2	115.4185	1.651	2	116.9824	11.596	16	115.4788	22.434	19
466	658	658	6:SP3_SP3_SP3	C[6]	Si[6]	Si[6]	4:4:1:1:	4:4:3:1:	4:4:3:1:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:Cl-1:	C[6]-4:C[6]-4:C[6a]-3:Cl-1:	C[6](Si[6]C[6a]C[6]Cl)2(H)2	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(Cl)	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(Cl)	C[6](Si[6]C[6a]C[6]Cl)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(Cl){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(Cl){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	118.4400	4.251	2	118.4400	18.072	2	118.4400	18.072	2	118.4400	18.072	2	116.9824	11.596	16	115.4788	22.434	19
466	658	658	6:SP3_SP3_SP3	C[6]	Si[6]	Si[6]	4:4:1:1:	4:4:3:2:	4:4:3:2:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:C-2:	C[6]-4:C[6]-4:C[6a]-3:C-2:	C[6](Si[6]C[6a]C[6]C)2(H)2	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(CC)	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(CC)	C[6](Si[6]C[6a]C[6]C)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(CC){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(CC){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	115.2995	2.223	6	115.2995	4.940	6	115.2995	4.940	6	115.2083	3.379	9	116.9824	11.596	16	115.4788	22.434	19
466	658	658	6:SP3_SP3_SP3	C[6]	Si[6]	Si[6]	4:4:1:1:	4:4:3:2:	4:4:3:2:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6](Si[6]C[6a]C[6]O)2(H)2	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(OC)	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(OC)	C[6](Si[6]C[6a]C[6]O)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(OC){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(OC){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	115.0260	1.045	3	115.0260	1.092	3	115.0260	1.092	3	115.2083	3.379	9	116.9824	11.596	16	115.4788	22.434	19
466	658	658	6:SP3_SP3_SP3	C[6]	Si[6]	Si[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[6]-4:Si[6]-4:H-1:H-1:	Si[5,6]-4:C[6]-4:C-4:C-4:	Si[5,6]-4:C[6]-4:C-4:C-4:	C[6](Si[6]Si[5,6]CC)2(H)2	Si[6](Si[5,6]Si[5,6]Si[5]Si)(C[6]Si[6]HH)(CH3)2	Si[6](Si[5,6]Si[5,6]Si[5]Si)(C[6]Si[6]HH)(CH3)2	C[6](Si[6]Si[5,6]CC)2(H)2{5|Si<4>}	Si[6](Si[5,6]Si[5,6]Si[5]Si)(C[6]Si[6]HH)(CH3)2{2|Si<4>,6|C<4>}	Si[6](Si[5,6]Si[5,6]Si[5]Si)(C[6]Si[6]HH)(CH3)2{2|Si<4>,6|C<4>}	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	122.3757	1.227	3	116.9824	11.596	16	115.4788	22.434	19
466	658	658	6:SP3_SP3_SP3	C[6]	Si[6]	Si[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	Si[6]-4:Si[6]-4:H-1:H-1:	Si[6,6]-4:C[6]-4:C-4:C-4:	Si[6,6]-4:C[6]-4:C-4:C-4:	C[6](Si[6]Si[6,6]CC)2(H)2	Si[6](Si[6,6]Si[6,6]Si[6]Si)(C[6]Si[6]HH)(CH3)2	Si[6](Si[6,6]Si[6,6]Si[6]Si)(C[6]Si[6]HH)(CH3)2	C[6](Si[6]Si[6,6]CC)2(H)2{5|Si<4>}	Si[6](Si[6,6]Si[6,6]Si[6]Si)(C[6]Si[6]HH)(CH3)2{1|Si<4>,7|C<4>}	Si[6](Si[6,6]Si[6,6]Si[6]Si)(C[6]Si[6]HH)(CH3)2{1|Si<4>,7|C<4>}	122.9050	0.880	2	122.9050	0.774	2	122.9050	0.774	2	122.3757	1.227	3	116.9824	11.596	16	115.4788	22.434	19
466	658	762	0:SP3_SP2_SP3	C[4x6]	Si[6]	C[6,6]	4:3:3:4:	4:4:4:4:	4:3:1:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[4x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2	C[6,6](C[4x6]C[5,6,6]C[4x6]Si[6])(C[6,6]C[3x6]O)(H)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[5,6,6]C[4x6]Si[6])(C[6,6]C[3x6]O)(H){2|C<3>,2|H<1>,5|C<4>}	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1
466	658	762	6:SP3_SP2_SP3	C[3x6]	Si[6,6]	C[6,6]	4:4:3:1:	4:3:4:4:	4:3:1:	C[5,6,6]-4:Si[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H)	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]Si[6,6]H)(C[3x6]C[5x6]C[6])(H){2|C<3>,2|H<1>,6|C<4>}	105.2000	0.000	1	105.2000	0.000	1	105.2000	0.000	1	105.2000	0.000	1	105.2000	0.000	1	110.5489	35.844	8
466	658	762	6:SP3_SP2_SP3	C[4x6]	Si[6]	C[4x6]	4:3:3:4:	4:4:4:4:	4:4:3:	C[5,6,6]-4:C[4x6]-3:C[6,6]-3:Si[6]-4:	C[4x6]-4:C[6]-4:C-4:C-4:	C[4x6]-4:C[3x6]-4:C[3x6]-3:	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC)	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2)	C[4x6](C[5,6,6]C[5,6,6]C[5]H)(C[4x6]C[3x6]2)(C[6,6]C[6,6]H)(Si[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2{3|C<3>,3|C<4>,3|H<1>}	C[4x6](C[4x6]C[5,6,6]C[6,6]Si[6])(C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2){3|C<3>,6|H<1>,7|C<4>}	106.4850	0.000	1	106.4850	0.000	1	106.4850	0.000	1	106.4850	0.000	1	106.4850	0.000	1	110.5489	35.844	8
466	658	762	6:SP3_SP2_SP3	C[6]	Si[6,6]	C[6]	4:3:1:1:	3:3:4:4:	4:2:4:	Si[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-2:C-4:	C[6](Si[6,6]C[6]N[6]2)(C[6]N[6]C)(H)2	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC)	C[6](C[6]Si[6,6]HH)(N[6]N[6])(CH3)	C[6](Si[6,6]C[6]N[6]2)(C[6]N[6]C)(H)2{1|N<3>,2|C<4>,4|C<3>}	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6](C[6]Si[6,6]HH)(N[6]N[6])(CH3){1|C<4>,1|H<1>,2|N<3>}	116.3800	0.000	1	116.3800	0.000	1	116.3800	0.000	1	116.3800	0.000	1	116.3800	0.000	1	110.5489	35.844	8
466	658	762	6:SP3_SP2_SP3	C[6]	Si[6]	C[6]	3:4:1:1:	4:4:4:2:	3:4:3:	C[6]-3:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:O-2:	C[6]-3:C[6]-4:C[6a]-3:	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi)	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2{1|Si<4>,2|C<4>,3|C<3>}	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	111.2652	42.304	5	110.5489	35.844	8
466	658	762	6:SP3_SP2_SP3	C[6]	Si[6]	C[6]	3:4:3:2:	4:2:4:4:	4:3:3:	C[6]-3:Si[6]-4:C[6a]-3:O-2:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr)	Si[6](C[6]C[6a]C[6]O)(N[6]C[6])(CH3)2	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr){1|C<2>,2|H<1>,5|C<3>}	Si[6](C[6]C[6a]C[6]O)(N[6]C[6])(CH3)2{1|C<4>,4|C<3>}	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	104.2110	0.000	1	104.2110	0.000	1	104.2110	0.000	1	104.2110	0.000	1	111.2652	42.304	5	110.5489	35.844	8
466	658	762	6:SP3_SP2_SP3	C[6]	Si[6]	C[6]	4:3:1:1:	4:3:4:1:	4:3:4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	Si[6](C[6,6]C[6,6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{2|C<4>,4|C<3>}	Si[6](C[6,6]C[6,6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|C<4>,7|C<3>}	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	104.8540	0.000	1	104.8540	0.000	1	104.8540	0.000	1	104.8540	0.000	1	111.2652	42.304	5	110.5489	35.844	8
466	658	762	6:SP3_SP2_SP3	C[6]	Si[6]	C[6]	4:3:1:1:	4:4:4:2:	4:3:4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Si-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi)	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>}	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	114.1910	1.806	2	114.1910	3.261	2	114.1910	3.261	2	114.1910	3.261	2	111.2652	42.304	5	110.5489	35.844	8
466	658	849	6:SP3_SP3_SP3	C[6,6]	Si[3x6]	P[6,6]	4:4:1:1:	4:4:4:4:	6:4:4:4:	P[6,6]-4:Si[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	Nb[3x6]-6:C[6,6]-4:C-4:C-4:	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2	Si[3x6](C[6,6]P[6,6]HH)3(CH3)	P[6,6](Nb[3x6]P[6,6]2GeCC)(C[6,6]Si[3x6]HH)(CH3)2	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2{1|Ge<2>,2|C<2>,2|P<4>,4|H<1>}	Si[3x6](C[6,6]P[6,6]HH)3(CH3){1|Nb<6>,6|C<4>}	P[6,6](Nb[3x6]P[6,6]2GeCC)(C[6,6]Si[3x6]HH)(CH3)2{7|C<4>}	115.5640	0.168	3	115.5640	0.028	3	115.4770	0.258	6	115.4770	0.258	6	115.4770	0.258	6	115.4770	0.258	6
466	658	849	6:SP3_SP3_SP3	C[6,6]	Si[3x6]	P[6,6]	4:4:1:1:	4:4:4:4:	6:4:4:4:	P[6,6]-4:Si[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	Nb[3x6]-6:C[6,6]-4:C-4:C-4:	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2	Si[3x6](C[6,6]P[6,6]HH)3(CH3)	P[6,6](Nb[3x6]P[6,6]2SnCC)(C[6,6]Si[3x6]HH)(CH3)2	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2{1|Sn<2>,2|C<2>,2|P<4>,4|H<1>}	Si[3x6](C[6,6]P[6,6]HH)3(CH3){1|Nb<6>,6|C<4>}	P[6,6](Nb[3x6]P[6,6]2SnCC)(C[6,6]Si[3x6]HH)(CH3)2{7|C<4>}	115.3900	0.771	3	115.3900	0.594	3	115.4770	0.258	6	115.4770	0.258	6	115.4770	0.258	6	115.4770	0.258	6
466	658	854	6:SP3_SP3_SP3	C[6]	Si[6]	N[6]	4:4:1:1:	4:2:4:1:	4:2:4:4:	Si[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:Cl-1:	C[6]-4:N[6]-2:C-4:C-4:	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(Cl)	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2{1|C<3>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(Cl){1|N<2>,3|C<4>}	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|Cl<1>,1|O<2>,2|C<4>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	116.0965	5.635	2	116.0965	5.635	2
466	658	854	6:SP3_SP3_SP3	C[6]	Si[6]	N[6]	4:4:1:1:	4:2:4:2:	4:2:4:4:	Si[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:N[6]-2:C-4:C-4:	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2{1|C<3>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|N<2>,2|C<4>}	N[6](C[6]Si[6]HH)(N[6]C[6])(CH3)2{1|C<4>,1|H<1>,2|O<2>}	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	116.0965	5.635	2	116.0965	5.635	2
466	658	856	6:SP3_SP2_SP3	C[6]	Si[6]	N[6]	4:3:1:1:	4:2:4:4:	4:2:3:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:N[6]-2:C-3:	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)2	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC)	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2{1|C<3>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)2{1|N<2>,2|C<3>}	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC){1|C<3>,1|O<2>,2|C<4>}	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	111.0303	2.094	9	111.0303	2.094	9
466	658	856	6:SP3_SP2_SP3	C[6]	Si[6]	N[6]	4:3:1:1:	4:2:4:4:	4:4:3:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-3:	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2	N[6](C[6]Si[6]HH)2(CCO)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2{1|C<3>,3|C<4>}	N[6](C[6]Si[6]HH)2(CCO){1|O<2>,4|C<4>}	110.7895	2.575	2	110.7895	6.628	2	111.2673	1.816	8	111.2673	1.816	8	111.0303	2.094	9	111.0303	2.094	9
466	658	856	6:SP3_SP2_SP3	C[6]	Si[6]	N[6]	4:3:1:1:	4:2:4:4:	4:4:3:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-3:	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2	N[6](C[6]Si[6]HH)2(CC[5]O)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2{1|C<3>,3|C<4>}	N[6](C[6]Si[6]HH)2(CC[5]O){1|O<2>,4|C<4>}	111.4265	1.046	6	111.4265	1.095	6	111.2673	1.816	8	111.2673	1.816	8	111.0303	2.094	9	111.0303	2.094	9
466	658	856	6:SP3_SP3_SP3	C[6]	Si[6,6]	N[6]	4:3:4:4:	3:3:4:4:	4:2:1:	Si[6,6]-4:N[6]-3:C-4:C-4:	N[6]-3:N[6]-3:C[6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:	C[6](Si[6,6]C[6]N[6]2)(N[6]N[6]H)(CH3)2	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC)	N[6](C[6]Si[6,6]CC)(N[6]C[6])(H)	C[6](Si[6,6]C[6]N[6]2)(N[6]N[6]H)(CH3)2{2|H<1>,5|C<3>}	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	N[6](C[6]Si[6,6]CC)(N[6]C[6])(H){2|C<4>,2|N<3>}	99.9989	0.000	1	99.9989	0.000	1	99.9989	0.000	1	99.9989	0.000	1	99.9989	0.000	1	107.6082	68.577	4
466	658	856	6:SP3_SP3_SP3	C[6]	Si[6]	N[6,6]	3:4:1:1:	4:2:4:4:	4:4:4:	N[6,6]-3:Si[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2	Si[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)2	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,2|H<1>,3|C<4>}	Si[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2{2|O<2>,4|C<4>,4|H<1>}	114.7600	0.849	2	114.7600	0.720	2	114.7600	0.720	2	114.7600	0.720	2	114.7600	0.720	2	107.6082	68.577	4
466	658	856	6:SP3_SP3_SP3	C[6]	Si[6]	N[6]	4:3:4:4:	4:3:4:1:	3:4:4:	Si[6]-4:N[6]-3:C-4:C-4:	Si[5]-4:N[6]-3:C[6]-4:Cl-1:	C[6,6a]-3:C[6]-4:C-4:	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2	Si[6](Si[5]N[5]2Cl)(N[6]C[6,6a]C)(C[6]N[6]CC)(Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH)	C[6](Si[6]Si[5]N[6]Cl)(N[6]C[6,6a]C)(CH3)2{1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	Si[6](Si[5]N[5]2Cl)(N[6]C[6,6a]C)(C[6]N[6]CC)(Cl){3|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]Si[6]CC)(CCHH){1|Cl<1>,1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	100.9140	0.000	1	100.9140	0.000	1	100.9140	0.000	1	100.9140	0.000	1	100.9140	0.000	1	107.6082	68.577	4
466	658	880	0:SP3_SP3_SP3	C[6]	Si[6]	Si	4:4:3:4:	4:4:4:2:	4:4:4:4:	Si[6]-4:C[6]-4:N-3:Si-4:	C[6]-4:C[6]-4:Si-4:O-2:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3)	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi)	Si(C[6]Si[6]C[6]N)(CH3)3	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi){1|C<3>,1|C<4>,2|H<1>}	Si(C[6]Si[6]C[6]N)(CH3)3	118.0120	1.116	2	118.0120	1.245	2	118.0120	1.245	2	118.0120	1.245	2	117.2448	12.929	5	117.2448	12.929	5
466	658	880	0:SP3_SP3_SP3	C[6]	Si[6]	Si	4:4:4:1:	4:4:1:1:	4:1:1:1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:Cl-1:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H)	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	Si(C[6]Si[6]C[6]H)(Cl)3	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H){2|Cl<1>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	Si(C[6]Si[6]C[6]H)(Cl)3	119.9750	0.000	1	119.9750	0.000	1	119.9750	0.000	1	119.9750	0.000	1	117.2448	12.929	5	117.2448	12.929	5
466	658	880	0:SP3_SP3_SP3	C[6]	Si[6]	Si	4:4:4:1:	4:4:1:1:	4:4:1:1:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:C-4:Cl-1:Cl-1:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H)	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	Si(C[6]Si[6]C[6]H)(CH3)(Cl)2	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H){2|Cl<1>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	Si(C[6]Si[6]C[6]H)(CH3)(Cl)2	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	117.2448	12.929	5	117.2448	12.929	5
466	658	880	0:SP3_SP3_SP3	C[6]	Si[6]	Si	4:4:4:4:	4:4:4:2:	4:4:4:4:	Si[6]-4:C[6]-4:Si-4:C-4:	C[6]-4:C[6]-4:Si-4:O-2:	C[6]-4:C-4:C-4:C-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3)	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi)	Si(C[6]Si[6]C[6]C)(CH3)3	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(SiC3)(CC3){2|C<3>,2|H<1>}	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi){2|C<3>,2|H<1>}	Si(C[6]Si[6]C[6]C)(CH3)3	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	117.2448	12.929	5	117.2448	12.929	5
466	658	914	6:SP3_SP2_SP3	C[6]	Si[6]	N[6]	4:2:4:4:	4:4:4:4:	3:4:	Si[6]-4:N[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-3:C[6]-4:	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2	N[6](C[6,6]C[6,6a]C[6,6])(C[6]Si[6]CC)	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2{1|C<4>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]Si[6]CC){3|C<3>,4|C<4>}	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1	109.8000	0.000	1
466	658	930	0:SP3_SP2_SP3	C[6]	Si[6]	C	4:4:3:1:	3:4:4:4:	4:2:1:	Si[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H)	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C(C[6]Si[6]C[6]H)(OC)(O)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C(C[6]Si[6]C[6]H)(OC)(O)	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1
466	658	951	0:SP3_SP-NON_SP3	C[3x6]	Si[6,6]	H	3:3:4:1:	4:4:4:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:Si[6,6]-4:H-1:	C[3x6]-4:Si[6,6]-4:Si-4:Si-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H)	Si[6,6](C[3x6]C[6,6,6a]2H)(Si[6,6]C[3x6]Si2)(SiC3)2	H(C[3x6]C[6,6,6a]2Si[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H){2|Si<4>,1|C<4>,2|H<1>,4|C<3>}	Si[6,6](C[3x6]C[6,6,6a]2H)(Si[6,6]C[3x6]Si2)(SiC3)2{1|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2Si[6,6])	105.0875	4.977	2	105.0875	24.774	2	105.0875	24.774	2	105.0875	24.774	2	109.3750	16.011	6	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[3x6]	Si[6,6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6,6]-4:Si[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H)	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2	H(C[3x6]C[5,6,6]Si[6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(Si[6,6]C[3x6]CC)(C[6,6]C[3x6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	Si[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5x6]C[6])(CH3)2{2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[5,6,6]Si[6,6]C[6,6])	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	109.3750	16.011	6	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[3x6]	Si[6,6]	H	4:4:4:1:	3:4:4:4:	4:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:H-1:	N[6,6]-3:C[3x6]-4:C-4:C-4:	C[3x6]-4:	C[3x6](Si[6,6]N[6,6]CC)3(H)	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2	H(C[3x6]Si[6,6]3)	C[3x6](Si[6,6]N[6,6]CC)3(H){1|B<3>,3|C<3>}	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2{2|C<3>,2|N<3>,4|C<4>}	H(C[3x6]Si[6,6]3)	111.4137	0.022	3	111.4137	0.000	3	111.4137	0.000	3	111.4137	0.000	3	109.3750	16.011	6	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[3x6]	Si[6]	H	4:4:4:1:	4:2:4:4:	4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2	H(C[3x6]C[4x6]C[6,6]Si[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|C<3>,4|C<4>,4|H<1>}	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]Si[6])	105.6410	0.000	1	105.0410	0.270	3	105.0410	0.270	3	105.0410	0.270	3	105.0410	0.270	3	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[3x6]	Si[6]	H	4:4:4:1:	4:2:4:4:	4:	C[4x6]-4:C[6,6]-4:Si[6]-4:H-1:	C[3x6]-4:O[6]-2:C-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H)	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2	H(C[3x6]C[4x6]C[6,6]Si[6])	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]CH)(Si[6]O[6]CC)(H){1|O<1>,3|H<1>,5|C<4>}	Si[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(CH3)2{1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[4x6]C[6,6]Si[6])	104.7410	0.000	2	105.0410	0.270	3	105.0410	0.270	3	105.0410	0.270	3	105.0410	0.270	3	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[3x6]	H	4:4:1:1:	4:4:4:3:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2)	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|B<4>,2|C<3>,2|C<4>,4|H<1>}	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2){1|P<4>,2|C<3>,8|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	109.9035	0.378	6	109.8281	2.453	24	109.8281	2.453	24	109.8281	2.453	24	109.3585	2.172	35	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[3x6]	H	4:4:1:1:	4:4:4:3:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2)	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|Pt<4>,2|C<3>,2|C<4>,4|H<1>}	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2){1|P<4>,2|C<3>,8|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	109.5722	0.416	12	109.8281	2.453	24	109.8281	2.453	24	109.8281	2.453	24	109.3585	2.172	35	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[3x6]	H	4:4:1:1:	4:4:4:3:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2)	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	Si[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2){1|P<3>,2|C<3>,8|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	110.2643	3.220	6	109.8281	2.453	24	109.8281	2.453	24	109.8281	2.453	24	109.3585	2.172	35	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[3x6]	H	4:4:1:1:	4:4:4:4:	4:	P[6,6]-4:Si[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2	Si[3x6](C[6,6]P[6,6]HH)3(CH3)	H(C[6,6]Si[3x6]P[6,6]H)	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2{1|Ge<2>,2|C<2>,2|P<4>,4|H<1>}	Si[3x6](C[6,6]P[6,6]HH)3(CH3){1|Nb<6>,6|C<4>}	H(C[6,6]Si[3x6]P[6,6]H)	108.4062	0.052	4	108.4328	0.012	9	108.4328	0.012	9	108.3340	0.058	11	109.3585	2.172	35	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[3x6]	H	4:4:1:1:	4:4:4:4:	4:	P[6,6]-4:Si[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2	Si[3x6](C[6,6]P[6,6]HH)3(CH3)	H(C[6,6]Si[3x6]P[6,6]H)	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2{1|Sn<2>,2|C<2>,2|P<4>,4|H<1>}	Si[3x6](C[6,6]P[6,6]HH)3(CH3){1|Nb<6>,6|C<4>}	H(C[6,6]Si[3x6]P[6,6]H)	108.4540	0.146	5	108.4328	0.012	9	108.4328	0.012	9	108.3340	0.058	11	109.3585	2.172	35	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[3x6]	H	4:4:1:1:	4:4:4:4:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	Si[6,6]-4:Si[6,6]-4:C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2	Si[3x6](Si[6,6]Si[6,6]CC)2(C[6,6]C[6,6]HH)(SiC3)	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2{3|Si<4>,4|C<4>}	Si[3x6](Si[6,6]Si[6,6]CC)2(C[6,6]C[6,6]HH)(SiC3){1|Si<4>,2|H<1>,4|C<4>}	H(C[6,6]Si[3x6]C[6,6]H)	107.8895	0.019	2	107.8895	0.000	2	107.8895	0.000	2	108.3340	0.058	11	109.3585	2.172	35	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[6]	H	4:4:4:1:	3:4:3:4:	4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|F<1>,1|N<3>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	108.2180	0.000	1	108.4320	0.069	3	108.4320	0.069	3	108.4320	0.069	3	107.8263	0.497	6	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[6]	H	4:4:4:1:	3:4:3:4:	4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	108.3540	0.000	1	108.4320	0.069	3	108.4320	0.069	3	108.4320	0.069	3	107.8263	0.497	6	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[6]	H	4:4:4:1:	3:4:3:4:	4:	Si[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C-4:	C[6,6]-4:	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3)	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](Si[6]C[6,6a]C[6a]C)(C[6,6]N[6,6]HH)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	108.7240	0.000	1	108.4320	0.069	3	108.4320	0.069	3	108.4320	0.069	3	107.8263	0.497	6	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<4>,1|H<1>,1|S<4>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CCHH)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	107.0775	0.162	2	107.0775	0.026	2	107.2207	0.075	3	107.2207	0.075	3	107.8263	0.497	6	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6,6]	Si[6]	H	4:4:4:1:	4:2:4:4:	4:	C[6,6]-4:Si[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H)	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2	H(C[6,6]C[6,6]Si[6]C[6])	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6]N[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,1|S<4>}	Si[6](C[6,6]C[6,6]C[6]H)(O[6]Si[6])(CH3)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]Si[6]C[6])	107.5070	0.000	1	107.5070	0.000	1	107.2207	0.075	3	107.2207	0.075	3	107.8263	0.497	6	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6,6]	H	4:3:1:1:	3:3:4:4:	4:	Si[6,6]-4:C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](Si[6,6]C[6]N[6]2)(C[6]N[6]C)(H)2	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC)	H(C[6]Si[6,6]C[6]H)	C[6](Si[6,6]C[6]N[6]2)(C[6]N[6]C)(H)2{1|N<3>,2|C<4>,4|C<3>}	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	H(C[6]Si[6,6]C[6]H)	108.1915	0.023	2	108.1915	0.001	2	108.1915	0.001	2	108.1915	0.001	2	108.1915	0.001	2	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	3:4:1:1:	3:4:4:4:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2	Si[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HH)(CH3)2	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	Si[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HH)(CH3)2{5|C<3>}	H(C[6]C[6,6a]Si[6]H)	109.7490	0.054	2	109.7490	0.003	2	109.7490	0.003	2	109.7490	0.003	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	3:4:1:1:	4:2:4:4:	4:	N[6,6]-3:Si[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2	Si[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)2	H(C[6]N[6,6]Si[6]H)	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,2|H<1>,3|C<4>}	Si[6](C[6]N[6,6]HH)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>}	H(C[6]N[6,6]Si[6]H)	108.2687	1.075	4	108.2687	1.155	4	108.2687	1.155	4	108.2687	1.155	4	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	Si[6](C[6]C[6,6a]HH)(C[6]C[6]H)(CH3)2{3|C<3>}	H(C[6]C[6,6a]Si[6]H)	109.6150	0.364	3	109.6150	0.132	3	109.5902	0.067	5	109.5902	0.067	5	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	3:4:1:1:	4:3:4:4:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	Si[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CH3)2	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{1|H<1>,4|C<3>}	Si[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CH3)2{5|C<3>}	H(C[6]C[6,6a]Si[6]H)	109.5530	0.006	2	109.5530	0.000	2	109.5902	0.067	5	109.5902	0.067	5	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	3:4:1:1:	4:4:4:2:	4:	C[6]-3:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi)	H(C[6]Si[6]C[6]H)	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2{1|Si<4>,2|C<4>,3|C<3>}	Si[6](C[6]C[6]SiC)(C[6]C[6]HH)(SiC3)(OSi){2|C<3>,2|H<1>}	H(C[6]Si[6]C[6]H)	107.1600	0.148	2	107.1600	0.022	2	107.1600	0.022	2	107.1600	0.022	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:2:1:1:	4:4:4:4:	4:	Si[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](Si[6]C[6]Si2)(S[6]C[6])(H)2	Si[6](C[6]S[6]HH)2(SiC3)2	H(C[6]Si[6]S[6]H)	C[6](Si[6]C[6]Si2)(S[6]C[6])(H)2{1|S<2>,4|H<1>}	Si[6](C[6]S[6]HH)2(SiC3)2{1|C<4>}	H(C[6]Si[6]S[6]H)	110.3805	0.840	4	110.3805	0.706	4	110.3805	0.706	4	110.3805	0.706	4	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:3:1:1:	4:2:4:4:	4:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	Si[6](C[6]N[6]HH)(O[6]Si[6])(CH3)2{1|C<3>,3|C<4>}	H(C[6]Si[6]N[6]H)	109.3822	0.300	16	109.3822	0.090	16	109.4106	0.098	17	109.4106	0.098	17	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:3:1:1:	4:2:4:4:	4:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)2	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2{1|C<3>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)2{1|N<2>,2|C<3>}	H(C[6]Si[6]N[6]H)	109.8660	0.000	1	109.8660	0.000	1	109.4106	0.098	17	109.4106	0.098	17	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:3:1:1:	4:3:4:1:	4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	Si[6](C[6,6]C[6,6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{2|C<4>,4|C<3>}	Si[6](C[6,6]C[6,6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|C<4>,7|C<3>}	H(C[6]Si[6]C[6]H)	110.7945	0.028	2	110.7945	0.001	2	110.7945	0.001	2	110.7945	0.001	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:3:1:1:	4:4:3:3:	4:	Si[6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[6]C[6,6a]Si[6]H)	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,6|C<3>}	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{3|C<4>,6|C<3>,6|H<1>}	H(C[6]C[6,6a]Si[6]H)	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:3:1:1:	4:4:4:2:	4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:Si-4:O-2:	C[6]-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>}	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi){1|C<3>,1|C<4>,2|H<1>}	H(C[6]Si[6]C[6]H)	108.2250	0.392	4	108.2250	0.153	4	108.2250	0.153	4	108.2250	0.153	4	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:3:2:1:	3:4:4:4:	4:	Si[6]-4:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H)	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)(CH3)2	H(C[6]C[6a]Si[6]S[6])	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H){4|C<3>,4|H<1>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6]H)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]Si[6]S[6])	108.0095	0.196	2	108.0095	0.038	2	108.0095	0.038	2	108.0095	0.038	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	3:3:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	Si[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	Si[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{2|O<2>,5|C<3>,6|H<1>}	H(C[6]Si[6]C[6]H)	109.1637	0.311	4	109.1637	0.096	4	109.2214	0.081	7	109.2214	0.081	7	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	3:3:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	Si[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	Si[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|N<4>,4|C<3>,8|H<1>}	H(C[6]Si[6]C[6]H)	109.2983	0.290	3	109.2983	0.084	3	109.2214	0.081	7	109.2214	0.081	7	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	3:4:3:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	H(C[6]Si[6]C[6]H)	109.9775	0.033	2	109.9775	0.001	2	109.9775	0.001	2	109.9775	0.001	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	3:4:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2{2|C<3>,2|C<4>}	Si[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Si<4>,2|C<3>,3|H<1>}	H(C[6]Si[6]C[6]H)	109.1893	0.248	12	109.1893	0.061	12	109.1893	0.061	12	109.2667	0.062	18	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	3:4:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(C[6]Si[6]C[6]H)	109.3300	0.006	2	109.3300	0.000	2	109.4215	0.034	6	109.2667	0.062	18	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	3:4:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	Si[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3){3|C<3>,6|H<1>}	H(C[6]Si[6]C[6]H)	109.4673	0.220	4	109.4673	0.048	4	109.4215	0.034	6	109.2667	0.062	18	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:2:4:1:	4:	Si[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:Cl-1:	C[6]-4:	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(Cl)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2{1|C<3>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(Cl){1|N<2>,3|C<4>}	H(C[6]Si[6]N[6]H)	107.8580	0.007	2	107.8580	0.000	2	107.8580	0.000	2	107.8580	0.000	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:2:4:2:	4:	Si[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-2:	C[6]-4:	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2{1|C<3>}	Si[6](C[6]N[6]HH)(O[6]C[6])(CH3)(OC){1|H<1>,1|N<2>,2|C<4>}	H(C[6]Si[6]N[6]H)	108.7165	0.018	2	108.7165	0.000	2	108.7165	0.000	2	108.7165	0.000	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:2:4:4:	4:	C[4,6]-4:Si[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(Si[6]O[6]CC)(H)2	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2	H(C[6]C[4,6]Si[6]H)	C[6](C[4,6]C[4]2C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	Si[6](C[6]C[4,6]HH)(O[6]Si[6])(CH3)2{1|C<3>,4|C<4>}	H(C[6]C[4,6]Si[6]H)	107.9750	0.093	3	107.9750	0.009	3	107.9750	0.009	3	107.9750	0.009	3	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:3:1:1:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:Cl-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)2(H)2	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2	H(C[6]Si[6]2H)	C[6](Si[6]C[6]Cl2)2(H)2{1|Si<4>,3|H<1>}	Si[6](C[6]Si[6]HH)(C[6]Si[6]H)(Cl)2{4|Cl<1>,1|C<4>}	H(C[6]Si[6]2H)	111.0795	3.084	4	111.0795	9.512	4	111.0795	9.512	4	111.0795	9.512	4	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:3:4:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:Si-4:H-1:	C[6]-4:	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2	Si[6](C[6]C[6]HH)(C[6]C[6]C)(SiC3)(H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2{1|C<3>,3|C<4>}	Si[6](C[6]C[6]HH)(C[6]C[6]C)(SiC3)(H){1|Si<4>,3|C<4>}	H(C[6]Si[6]C[6]H)	108.3595	0.009	2	108.3595	0.000	2	108.3595	0.000	2	108.3595	0.000	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:3:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]Si[6]C[6]H)	110.1455	1.620	2	110.1455	2.624	2	110.1455	2.624	2	108.7072	1.768	6	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:3:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<2>,2|H<1>}	Si[6](C[6]C[6]HH)(C[6]Si[6]C)(CH3)2{2|H<1>,3|C<4>}	H(C[6]Si[6]C[6]H)	107.9880	0.052	4	107.9880	0.003	4	107.9880	0.003	4	108.7072	1.768	6	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	H(C[6]Si[6]C[6]H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	H(C[6]Si[6]C[6]H)	107.3568	2.119	4	107.3568	4.490	4	107.3568	4.490	4	108.1289	6.928	10	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2	Si[6](C[6]C[6]HH)2(Cl)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Si[6](C[6]C[6]HH)2(Cl)2{1|C<4>,4|H<1>}	H(C[6]Si[6]C[6]H)	109.9250	0.117	2	109.9250	0.014	2	109.9250	0.014	2	108.1289	6.928	10	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:1:1:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)2(H)2	Si[6](C[6]Si[6]HH)2(Cl)2	H(C[6]Si[6]2H)	C[6](Si[6]C[6]Cl2)2(H)2{1|Si<4>,3|H<1>}	Si[6](C[6]Si[6]HH)2(Cl)2{4|Cl<1>,1|C<3>}	H(C[6]Si[6]2H)	108.0030	3.650	4	108.0030	13.324	4	108.0030	13.324	4	108.1289	6.928	10	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:2:2:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2	Si[6](C[6]C[6]HH)2(OC[6a])2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	Si[6](C[6]C[6]HH)2(OC[6a])2{1|C<4>,4|H<1>}	H(C[6]Si[6]C[6]H)	108.9945	0.768	11	108.9945	0.590	11	108.9945	0.590	11	108.9945	0.590	11	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:3:1:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:Cl-1:	C[6]-4:	C[6](Si[6]C[6a]C[6]Cl)2(H)2	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(Cl)	H(C[6]Si[6]2H)	C[6](Si[6]C[6a]C[6]Cl)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(Cl){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]Si[6]2H)	107.8374	0.782	5	107.8374	0.612	5	107.8374	0.612	5	107.8374	0.612	5	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:3:2:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:C-2:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)2(H)2	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(CC)	H(C[6]Si[6]2H)	C[6](Si[6]C[6a]C[6]C)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(CC){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	H(C[6]Si[6]2H)	108.1888	1.980	23	108.1888	3.922	23	108.1888	3.922	23	108.2819	2.730	33	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:3:2:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:	C[6](Si[6]C[6a]C[6]O)2(H)2	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(OC)	H(C[6]Si[6]2H)	C[6](Si[6]C[6a]C[6]O)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(OC){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]Si[6]2H)	108.4959	0.212	10	108.4959	0.045	10	108.4959	0.045	10	108.2819	2.730	33	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:3:3:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:N[5]-3:	C[6]-4:	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2	Si[6](C[6]C[6]HH)2(N[5]C[5]2)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	Si[6](C[6]C[6]HH)2(N[5]C[5]2)2{1|C<4>,2|C<3>,2|N<3>,8|H<1>}	H(C[6]Si[6]C[6]H)	109.9062	0.345	4	109.9062	0.119	4	109.9062	0.119	4	109.9062	0.119	4	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[5,6]H)(Si[6]C[4x6]CC)(H)2	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2	H(C[6]C[6,6]Si[6]H)	C[6](C[6,6]C[3x6]C[5,6]H)(Si[6]C[4x6]CC)(H)2{1|H<1>,3|C<3>,3|C<4>}	Si[6](C[4x6]C[5,6,6]C[4x6]C[6,6])(C[6]C[6,6]HH)(CH3)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]Si[6]H)	109.3845	0.046	2	109.3845	0.002	2	109.3845	0.002	2	107.8143	0.956	32	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2	H(C[6]C[6,6]Si[6]H)	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	Si[6](C[6]C[6,6]HH)(C[6]N[6]CC)(CCCH)2{1|C<4>,2|C<3>}	H(C[6]C[6,6]Si[6]H)	108.6130	0.014	2	108.6130	0.000	2	108.6130	0.000	2	107.8143	0.956	32	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2	Si[6](C[6]C[6]HH)2(SiC3)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]HH)2(SiC3)2{1|Si<4>,4|H<1>}	H(C[6]Si[6]C[6]H)	108.7885	0.145	8	108.7885	0.021	8	108.7885	0.021	8	107.8143	0.956	32	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2	Si[6](P[6]C[6a]2Si[6])(C[6]C[6]HH)(CH3)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<3>,2|H<1>}	Si[6](P[6]C[6a]2Si[6])(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]Si[6]C[6]H)	107.5907	0.324	4	107.5907	0.105	4	107.5907	0.105	4	107.8143	0.956	32	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:Si-4:Si-4:	C[6]-4:	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2	Si[6](Si[6]Si[6]CC)(C[6]C[6]HH)(SiC3)2	H(C[6]Si[6]C[6]H)	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2{3|Si<4>,2|C<4>}	Si[6](Si[6]Si[6]CC)(C[6]C[6]HH)(SiC3)2{1|Si<4>,2|C<4>,2|H<1>}	H(C[6]Si[6]C[6]H)	108.1458	0.221	4	108.1458	0.049	4	108.1458	0.049	4	107.8143	0.956	32	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	Si[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](Si[6]Si[5,6]CC)2(H)2	Si[6](Si[5,6]Si[5,6]Si[5]Si)(C[6]Si[6]HH)(CH3)2	H(C[6]Si[6]2H)	C[6](Si[6]Si[5,6]CC)2(H)2{5|Si<4>}	Si[6](Si[5,6]Si[5,6]Si[5]Si)(C[6]Si[6]HH)(CH3)2{2|Si<4>,6|C<4>}	H(C[6]Si[6]2H)	106.9950	0.026	4	106.9950	0.001	4	106.9950	0.001	4	107.8143	0.956	32	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:1:1:	4:4:4:4:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	Si[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](Si[6]Si[6,6]CC)2(H)2	Si[6](Si[6,6]Si[6,6]Si[6]Si)(C[6]Si[6]HH)(CH3)2	H(C[6]Si[6]2H)	C[6](Si[6]Si[6,6]CC)2(H)2{5|Si<4>}	Si[6](Si[6,6]Si[6,6]Si[6]Si)(C[6]Si[6]HH)(CH3)2{1|Si<4>,7|C<4>}	H(C[6]Si[6]2H)	106.6036	0.163	8	106.6036	0.027	8	106.6036	0.027	8	107.8143	0.956	32	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:3:1:	3:4:4:4:	4:	Si[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H)	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]Si[6]C[6]C)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	Si[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,5|H<1>}	H(C[6]Si[6]C[6]C)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:4:1:	3:4:4:4:	4:	Si[6]-4:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H)	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2	H(C[6]Si[6]C[6]C)	C[6](Si[6]C[5,6]CC)(C[6]C[6]CH)(CH3)(H){1|Si<4>,1|C<3>,2|H<1>}	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]Si[6]C[6]C)	105.9917	0.407	4	105.9917	0.166	4	105.9917	0.166	4	106.6617	1.177	6	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:4:1:	3:4:4:4:	4:	Si[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H)	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CCCH)2	H(C[6]Si[6]C[6]C)	C[6](Si[6]C[6,6a]CC)(C[6]C[6,6a]CH)(CCHH)(H){3|C<3>}	Si[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CCCH)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]Si[6]C[6]C)	108.0015	0.043	2	108.0015	0.002	2	108.0015	0.002	2	106.6617	1.177	6	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H)	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	H(C[6]Si[6]C[6]Si)	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl2C)(H){2|Cl<1>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	H(C[6]Si[6]C[6]Si)	105.4060	0.000	1	105.4060	0.000	1	105.0160	0.304	2	105.0160	0.304	2	108.5981	2.168	193	108.6600	2.614	245
466	658	951	0:SP3_SP-NON_SP3	C[6]	Si[6]	H	4:4:4:1:	4:4:1:1:	4:	Si[6]-4:C[6]-4:Si-4:H-1:	C[6]-4:C[6]-4:Cl-1:Cl-1:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H)	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2	H(C[6]Si[6]C[6]Si)	C[6](Si[6]C[6]Cl2)(C[6]Si[6]HH)(SiCl3)(H){2|Cl<1>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]SiH)(C[6]C[6]HH)(Cl)2{2|Si<4>,3|H<1>}	H(C[6]Si[6]C[6]Si)	104.6260	0.000	1	104.6260	0.000	1	105.0160	0.304	2	105.0160	0.304	2	108.5981	2.168	193	108.6600	2.614	245
466	658	956	0:SP3_SP2_SP3	C[6]	Si[6]	N	4:4:3:4:	4:4:4:2:	4:3:3:	Si[6]-4:C[6]-4:N-3:Si-4:	C[6]-4:C[6]-4:Si-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3)	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi)	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3){1|C<3>,1|C<4>,2|H<1>}	Si[6](C[6]C[6]SiN)(C[6]C[6]HH)(SiC3)(OSi){1|C<3>,1|C<4>,2|H<1>}	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	112.3330	1.581	2	112.3330	2.500	2	112.3330	2.500	2	112.3330	2.500	2	112.3330	2.500	2	112.3330	2.500	2
466	679	951	0:SP3_SP-NON_SP3	C[6,6]	B[5a,6,6]	H	4:4:4:1:	3:3:4:4:	4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H)	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2	H(C[6,6]B[5a,6,6]C[6]2)	C[6,6](B[5a,6,6]N[5a,6a]2C[6,6])(C[6]C[6]HH)2(H){2|C<4>,4|C<3>,5|H<1>}	B[5a,6,6](N[5a,6a]C[5a,6a]C[6a])2(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	H(C[6,6]B[5a,6,6]C[6]2)	108.6696	0.144	14	108.6696	0.021	14	108.6696	0.021	14	108.6696	0.021	14	108.6157	0.056	16	107.6700	1.641	27
466	679	951	0:SP3_SP-NON_SP3	C[6,6]	B[5a,6,6]	H	4:4:4:1:	3:4:4:3:	4:	B[5a,6,6]-4:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[6,6]-4:C[6,6]-4:C[5a]-3:	C[6,6]-4:	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H)	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N)	H(C[6,6]B[5a,6,6]C[6]2)	C[6,6](B[5a,6,6]C[6,6]C[5a]N[5a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	B[5a,6,6](N[5a]C[5a]C[6a])(C[6,6]C[6]2H)2(C[5a]N[5a]N){1|N<3>,2|C<3>,3|C<4>,8|H<1>}	H(C[6,6]B[5a,6,6]C[6]2)	108.2380	0.496	2	108.2380	0.246	2	108.2380	0.246	2	108.2380	0.246	2	108.6157	0.056	16	107.6700	1.641	27
466	679	951	0:SP3_SP-NON_SP3	C[6]	B[5a]	H	4:4:4:1:	3:3:4:3:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]B[5a]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|C<4>,4|H<1>}	B[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(C[6]C[6]2H)(C[6]C[6]2){1|N<3>,5|C<4>,8|H<1>}	H(C[6]B[5a]C[6]2)	105.2810	0.000	1	105.2810	0.000	1	105.2810	0.000	1	105.2810	0.000	1	106.2944	0.670	11	107.6700	1.641	27
466	679	951	0:SP3_SP-NON_SP3	C[6]	B[5a]	H	4:4:4:1:	3:3:4:4:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	H(C[6]B[5a]C[6]2)	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|C<4>,5|H<1>}	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{1|C<3>,1|N<2>,6|C<4>,9|H<1>}	H(C[6]B[5a]C[6]2)	105.6065	0.185	2	105.6065	0.034	2	105.9592	0.469	4	105.9597	0.329	6	106.2944	0.670	11	107.6700	1.641	27
466	679	951	0:SP3_SP-NON_SP3	C[6]	B[5a]	H	4:4:4:1:	3:3:4:4:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	N[5,5a]-3:N[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2	H(C[6]B[5a]C[6]2)	C[6](B[5a]N[5,5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|B<4>,1|N<3>,2|N<2>,3|C<4>,5|H<1>}	B[5a](N[5,5a]N[5,5a]N[5])(N[5a]B[5a]N)(C[6]C[6]2H)2{2|C<3>,6|C<4>,8|H<1>}	H(C[6]B[5a]C[6]2)	106.3120	0.936	2	106.3120	0.876	2	105.9592	0.469	4	105.9597	0.329	6	106.2944	0.670	11	107.6700	1.641	27
466	679	951	0:SP3_SP-NON_SP3	C[6]	B[5a]	H	4:4:4:1:	3:3:4:4:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2	H(C[6]B[5a]C[6]2)	C[6](B[5a]C[5a]N[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>,5|H<1>}	B[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)2{1|N<3>,2|C<3>,5|C<4>,8|H<1>}	H(C[6]B[5a]C[6]2)	105.9605	0.484	2	105.9605	0.235	2	105.9605	0.235	2	105.9597	0.329	6	106.2944	0.670	11	107.6700	1.641	27
466	679	951	0:SP3_SP-NON_SP3	C[6]	B[5a]	H	4:4:4:1:	3:4:4:2:	4:	B[5a]-4:C[6]-4:C[6]-4:H-1:	N[5,5a]-3:C[6]-4:C[6]-4:O[5a]-2:	C[6]-4:	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H)	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a])	H(C[6]B[5a]C[6]2)	C[6](B[5a]N[5,5a]O[5a]C[6])(C[6]C[6]HH)2(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]B[5a]C[6]2)	107.0498	0.599	4	107.0498	0.359	4	107.0498	0.359	4	107.0498	0.359	4	106.2944	0.670	11	107.6700	1.641	27
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]H)(N[5a]C[5a,6a]H)	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	111.9195	3.244	2	112.2963	1.503	4	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H){2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	111.9195	3.244	2	112.2963	1.503	4	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:4:1:	3:3:4:	4:3:2:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H)	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,4|H<1>}	113.2640	0.000	1	113.2640	0.000	1	113.2640	0.000	1	113.2640	0.000	1	112.2963	1.503	4	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a]	3:3:4:1:	3:4:3:	4:3:3:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.2963	1.503	4	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a,6]	3:3:3:4:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a]-3:N[6]-3:C-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]C)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	112.2823	1.380	4	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a,6]	3:3:4:1:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	113.1705	0.190	2	113.1705	0.036	2	113.1705	0.036	2	113.1705	0.036	2	112.2823	1.380	4	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a,6]	3:4:3:1:	4:3:2:	4:3:3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H)	C[5a](C[6]C[5a,6]C[5,6]H)(C[5a]N[5a]H)(N[5a]C[5a])	C[5a,6](C[6]C[5,6]C[5a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H){1|N<2>,1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a](C[6]C[5a,6]C[5,6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[6]C[5,6]C[5a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.2823	1.380	4	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2{2|C<4>,2|S<2>,3|H<1>,6|C<3>}	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,5|C<3>}	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,5|C<3>}	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	108.8672	1.249	18	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a]	3:3:4:4:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5a]C[5a]O[5a])2(C[6]C[6]HH)2	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[5a]C[5a]O[5a])2(C[6]C[6]HH)2{1|C<4>,4|C<3>,6|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	108.0320	0.014	2	108.0320	0.000	2	108.0320	0.000	2	108.0320	0.000	2	108.8672	1.249	18	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	110.6220	0.000	1	110.2510	0.275	2	110.2510	0.275	2	108.7917	1.017	14	108.8672	1.249	18	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	109.8800	0.000	1	110.2510	0.275	2	110.2510	0.275	2	108.7917	1.017	14	108.8672	1.249	18	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:N[5a]-3:C[5a]-3:	C[6]-4:N[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Co)(C[5a]C[5a]H)	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Co)(C[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Co<4>,1|C<4>,4|C<3>,6|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Co)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Co)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	108.3942	0.573	4	108.3942	0.329	4	108.5485	0.725	12	108.7917	1.017	14	108.8672	1.249	18	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:N[5a]-3:C[5a]-3:	C[6]-4:N[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Cu<4>,1|C<4>,4|C<3>,6|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	107.8510	0.703	4	107.8510	0.494	4	108.5485	0.725	12	108.7917	1.017	14	108.8672	1.249	18	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:N[5a]-3:C[5a]-3:	C[6]-4:N[5a]-3:C[5a]-3:	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Fe)(C[5a]C[5a]H)	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Fe)(C[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])2(C[6]C[6]HH)2{1|Fe<4>,1|C<4>,4|C<3>,6|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Fe)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5a](C[6]C[5a]C[6]2)(N[5a]C[5a]Fe)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	109.4002	0.434	4	109.4002	0.188	4	108.5485	0.725	12	108.7917	1.017	14	108.8672	1.249	18	109.9201	3.790	26
466	727	727	0:SP3_SP2_SP2	C[6]	C[5a]	C[5a]	4:3:3:4:	4:3:2:	4:3:2:	C[5,6]-4:C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[5a]-3:O[5a]-2:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH)	C[5a](C[6]C[5,6]C[5a]C[6])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a](C[6]C[5,6]C[5a]C[6])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[5a]C[5a]O[5a])2(C[6]C[6]HH){1|O<2>,4|H<1>,7|C<3>}	C[5a](C[6]C[5,6]C[5a]C[6])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5a](C[6]C[5,6]C[5a]C[6])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	108.8672	1.249	18	109.9201	3.790	26
466	727	727	6:SP3_SP2_SP2	C[3x6]	C[5a,6,6]	C[5a,6,6]	3:3:3:1:	3:4:3:	3:4:3:	C[5a,6,6]-3:C[5a,6,6]-3:C[5a,6,6]-3:H-1:	N[5a,6,6]-3:C[3x6]-4:C[5a]-3:	N[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6](C[5a,6,6]N[5a,6,6]C[5a])3(H)	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H)	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H)	C[3x6](C[5a,6,6]N[5a,6,6]C[5a])3(H){1|P<3>,3|H<1>,6|C<3>}	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	106.4223	1.193	3	106.4223	1.423	3	106.4223	1.423	3	106.4223	1.423	3	106.3472	0.723	5	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[3x6]	C[5a,6,6]	C[5a,6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6,6]-3:C[5a,6]-3:	C[3x6]-4:C[5a,6,6]-3:C[5a,6]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H)	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6])	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	106.1900	0.000	1	106.1900	0.000	1	106.1900	0.000	1	106.2345	0.004	2	106.3472	0.723	5	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[3x6]	C[5a,6,6]	C[5a,6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6,6]-3:C[5a]-3:	C[3x6]-4:C[5a,6,6]-3:C[5a]-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H)	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C)	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H){2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	106.2790	0.000	1	106.2790	0.000	1	106.2790	0.000	1	106.2345	0.004	2	106.3472	0.723	5	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:C[6]-4:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5a,6]C[6]2)(C[5a,6]C[6,6]N[5a])	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[5a,6]C[6]2)(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)2{1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5a,6]C[6]2)(C[5a,6]C[6,6]N[5a]){1|N<3>,3|C<3>,4|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[5a,6]C[6]2)(N[5a]C[5a,6a]H){4|C<3>,4|C<4>,4|H<1>}	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	106.3380	0.000	1	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)2{1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	111.2394	6.089	10	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:1:	3:3:4:	3:3:4:	C[5a,6]-3:C[5a,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,2|N<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH){1|N<3>,2|H<1>,5|C<3>}	107.5945	0.151	2	107.5945	0.023	2	107.5945	0.023	2	107.5945	0.023	2	111.2394	6.089	10	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:1:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	114.0030	0.000	1	113.6445	0.257	2	113.6445	0.257	2	113.6445	0.257	2	111.2394	6.089	10	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:3:1:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	113.2860	0.000	1	113.6445	0.257	2	113.6445	0.257	2	113.6445	0.257	2	111.2394	6.089	10	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<2>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.3140	0.000	1	111.3088	2.952	5	111.3088	2.952	5	111.3088	2.952	5	111.2394	6.089	10	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Ag<3>,1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Ag<3>,1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.5580	0.000	1	111.3088	2.952	5	111.3088	2.952	5	111.3088	2.952	5	111.2394	6.089	10	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Cl<1>,1|Cu<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Cl<1>,1|Cu<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.8010	0.000	1	111.3088	2.952	5	111.3088	2.952	5	111.3088	2.952	5	111.2394	6.089	10	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Cl<1>,1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Cl<1>,1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.9330	0.000	1	111.3088	2.952	5	111.3088	2.952	5	111.3088	2.952	5	111.2394	6.089	10	109.4043	9.833	16
466	727	727	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[5a,6]	3:3:4:4:	3:4:3:	3:4:3:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2{1|Ge<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[5a,6](N[5a,6]C[5a]Ge[6])(C[6]C[5a,6]CC)(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	110.9380	0.000	1	111.3088	2.952	5	111.3088	2.952	5	111.3088	2.952	5	111.2394	6.089	10	109.4043	9.833	16
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C)	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,3|H<1>,5|C<4>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6,6]C[6]S[6]C)(C[6]C[6,6a]H){2|C<4>,3|H<1>,4|C<3>}	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	116.4950	0.000	1	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:2:	4:3:1:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	C[5a,6](C[6,6]N[6,6]C[6]2)(C[5a,6]N[5a]C[6])(N[5a]O[5a])	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6a]C[6])(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6](C[6,6]N[6,6]C[6]2)(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|O<1>,2|N<3>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	106.8840	0.000	1	111.9547	20.057	12	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:3:3:4:	3:3:4:	4:3:1:	C[5a,6]-3:C[6,6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,3|C<3>}	115.6653	0.587	4	115.6653	0.344	4	115.6653	0.344	4	115.6653	0.344	4	111.9547	20.057	12	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[3x6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H)	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(O)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	107.6070	0.000	1	107.6070	0.000	1	107.6070	0.000	1	107.6070	0.000	1	111.9547	20.057	12	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:4:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]S)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5a,6]C[6,6]H)(C[5,6]O[5,6]C[5]N)(O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	111.9547	20.057	12	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:4:3:1:	4:3:3:	4:2:1:	C[5a,6]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:O[6]-2:O-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(O[6]C[6])(O)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[5a,6]H)(O[6]C[6])(O){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	111.9547	20.057	12	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[5a,6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H){1|S<2>,3|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,6|C<3>}	108.5825	2.837	4	108.5825	8.048	4	108.5825	8.048	4	108.5825	8.048	4	111.9547	20.057	12	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a]	C[3x6]	3:3:4:1:	4:3:3:	4:4:3:	C[3x6]-3:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6,6]	C[5a]	C[6]	4:3:4:3:	4:3:3:	4:3:1:	C[6,6]-4:C[5a]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[5a](C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)(C[5a]S[5a]S)	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|S<2>,3|C<4>,6|H<1>}	C[5a](C[6,6]C[6,6]C[6]2)(C[5a]C[5a]H)(C[5a]S[5a]S){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6]O)(O){2|C<3>,4|C<4>,4|H<1>}	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6,6]	3:3:3:1:	3:3:4:	4:3:3:	C[6,6]-3:C[6,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6,6]2H)	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,5|C<4>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6,6]2H){6|C<3>}	C[6,6](C[6]C[6,6]C[5a]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>}	110.4135	2.651	2	110.4135	7.028	2	110.4135	7.028	2	110.4135	7.028	2	111.3810	3.394	6	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	112.5750	0.000	1	111.3637	2.061	3	111.3637	2.061	3	111.8648	2.378	4	111.3810	3.394	6	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	110.7580	1.386	2	111.3637	2.061	3	111.3637	2.061	3	111.8648	2.378	4	111.3810	3.394	6	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6,6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H)	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	111.8648	2.378	4	111.3810	3.394	6	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:2:3:1:	3:4:3:	4:2:3:	C[5a]-3:O[6]-2:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:N[6]-2:C-3:	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	C[6](C[6]C[5a]O[6]H)(N[6]C[6,6a])(COO)	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]O[6]H)(N[6]C[6,6a])(COO){4|C<3>}	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	113.0680	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:1:	4:3:2:	4:3:1:	C[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:2:3:	4:3:2:	4:3:1:	C[5a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[5a](C[6]C[6a]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6]C[5a]C[6a]O[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){4|H<1>,6|C<3>}	C[5a](C[6]C[6a]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6a]O[6])(C[6]C[6,6a]H)(H){1|S<2>,5|C<3>}	110.6580	2.014	2	110.6580	4.056	2	110.6580	4.056	2	110.6580	4.056	2	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H){2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,3|C<3>}	113.1375	0.107	2	113.1375	0.011	2	113.1375	0.011	2	113.1375	0.011	2	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.3850	0.395	2	111.3850	0.156	2	111.3850	0.156	2	110.8541	2.151	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H){1|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.3475	0.166	2	110.3475	0.028	2	110.7951	2.358	18	110.8541	2.151	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	110.6240	0.133	2	110.6240	0.018	2	110.7951	2.358	18	110.8541	2.151	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	111.0169	1.852	12	110.8834	3.037	14	110.7951	2.358	18	110.8541	2.151	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){7|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.0825	0.491	2	110.8834	3.037	14	110.7951	2.358	18	110.8541	2.151	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:C-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|H<1>,1|O<2>,3|C<3>}	110.8160	0.000	1	111.8077	0.882	3	111.8077	0.882	3	112.1467	1.048	4	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:C-2:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	112.3035	0.537	2	111.8077	0.882	3	111.8077	0.882	3	112.1467	1.048	4	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:2:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-2:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]N)(CN){1|S<2>,3|C<3>}	113.1640	0.000	1	113.1640	0.000	1	113.1640	0.000	1	112.1467	1.048	4	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	110.3905	1.766	2	109.9685	1.283	4	110.4927	3.206	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	109.5465	0.136	2	109.9685	1.283	4	110.4927	3.206	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	110.8930	0.000	1	110.9120	4.956	5	110.4927	3.206	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	110.1225	1.750	2	110.9120	4.956	5	110.4927	3.206	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	111.7110	3.773	2	110.9120	4.956	5	110.4927	3.206	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	109.4530	0.000	1	109.4530	0.000	1	110.4118	1.483	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H){1|H<1>,1|S<2>,3|C<3>}	108.8260	0.000	1	108.8260	0.000	1	110.4118	1.483	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO){1|H<1>,1|S<2>,3|C<3>}	109.9630	0.000	1	109.9630	0.000	1	110.4118	1.483	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	110.2610	0.746	4	110.6444	1.153	5	110.4118	1.483	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	112.1780	0.000	1	110.6444	1.153	5	110.4118	1.483	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O){1|C<2>,1|S<2>,2|C<3>}	112.2420	0.000	1	112.2420	0.000	1	110.4118	1.483	9	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H)	C[5a](N[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	111.2235	0.302	2	111.2235	0.091	2	111.2235	0.091	2	110.5293	2.037	20	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	111.6140	0.913	4	111.6140	0.834	4	111.6140	0.834	4	111.6140	0.834	4	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(CN){4|C<3>}	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.4280	0.000	1	111.5910	1.091	3	111.5910	1.091	3	111.4910	0.627	5	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	112.1725	0.392	2	111.5910	1.091	3	111.5910	1.091	3	111.4910	0.627	5	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[5a]S[5a]B[5])(C[6]C[6]N[6]H)(C[5a]C[5a]H)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,1|S<2>}	C[5a](C[5a]S[5a]B[5])(C[6]C[6]N[6]H)(C[5a]C[5a]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	111.3410	0.502	2	111.3410	0.252	2	111.3410	0.252	2	111.4910	0.627	5	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	3:4:3:	4:4:3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]C[6]CH)(CHH){1|C<4>,4|C<3>}	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	112.0510	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	112.6211	1.179	7	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|N<2>,2|C<3>,2|H<1>}	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	112.6211	1.179	7	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|O<2>,2|C<3>,2|H<1>}	113.2950	0.000	1	113.2950	0.000	1	113.2950	0.000	1	112.6211	1.179	7	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|S<2>,2|C<3>,2|H<1>}	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	112.6211	1.179	7	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	113.4890	0.467	2	113.4890	0.218	2	113.4890	0.218	2	112.6211	1.179	7	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:2:	4:3:3:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	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)	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	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>}	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>}	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO){1|S<2>,3|C<3>}	113.0030	0.000	1	113.0030	0.000	1	113.0030	0.000	1	112.6211	1.179	7	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:3:	4:2:1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O)	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.3410	0.000	1	110.3410	0.000	1	110.3410	0.000	1	108.8050	1.780	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:3:	4:2:1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O)	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	108.0370	0.146	2	108.0370	0.021	2	108.0370	0.021	2	108.8050	1.780	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:3:	4:3:1:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	112.9220	0.000	1	112.9220	0.000	1	112.9220	0.000	1	112.9220	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:2:	4:3:2:	3:4:1:	C[6,6a]-3:C[5a]-3:C[6]-3:O-2:	C[6]-4:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH)	C[5a](C[6]C[6,6a]C[6]O)(C[5a]N[5a]H)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6,6a]C[6]O)(C[5a]N[5a]H)(S[5a]C[5a]){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O){1|H<1>,1|S<2>,5|C<3>}	105.4350	0.000	1	105.4350	0.000	1	105.4350	0.000	1	105.4350	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:3:	3:4:3:	4:2:1:	C[5a]-3:N[6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H)	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O){1|H<1>,4|C<3>}	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2{2|C<4>,2|S<2>,3|H<1>,6|C<3>}	C[5a](C[6]C[6,6a]C[5a]C[6])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O){1|H<1>,8|C<3>}	108.1250	6.124	2	108.1250	37.498	2	108.1250	37.498	2	108.1250	37.498	2	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:3:4:	4:3:3:	4:2:1:	C[5a]-3:N[6]-3:C[6]-3:C-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:O[6]-2:O-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3)	C[5a](C[6]C[6]N[6]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3){2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5a]N[6]C)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,3|C<3>}	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:4:1:	3:4:2:	3:4:3:	C[5a]-3:C[6]-3:C[6]-4:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[5,6]-3:C[6]-4:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[5a]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:3:4:2:	3:4:2:	3:4:1:	C[5a]-3:C[6]-3:C[6]-4:O-2:	C[5a]-3:C[6]-4:S[5a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(S[5a]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(O)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	106.0460	0.000	1	106.0460	0.000	1	106.0460	0.000	1	106.0460	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:2:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:O[6]-2:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(O[6]C[6,6a])(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	110.9650	0.000	1	110.9650	0.000	1	111.3920	0.183	3	111.6019	1.925	8	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	111.8210	0.000	1	111.8210	0.000	1	111.3920	0.183	3	111.6019	1.925	8	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	111.3900	0.000	1	111.3900	0.000	1	111.3920	0.183	3	111.6019	1.925	8	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	111.6050	0.000	2	111.6050	0.000	2	111.6050	0.000	2	111.6019	1.925	8	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.0320	0.000	1	114.0320	0.000	1	114.0320	0.000	1	111.6019	1.925	8	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.3480	0.000	1	112.3480	0.000	1	110.6985	5.442	2	111.6019	1.925	8	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	109.0490	0.000	1	109.0490	0.000	1	110.6985	5.442	2	111.6019	1.925	8	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi){1|C<4>,2|C<3>,4|H<1>}	110.7700	0.000	1	110.7700	0.000	1	111.0225	0.128	2	111.4673	0.657	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi){1|C<4>,2|C<3>,4|H<1>}	111.2750	0.000	1	111.2750	0.000	1	111.0225	0.128	2	111.4673	0.657	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:2:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH){1|C<3>,2|N<3>,4|H<1>}	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	111.4673	0.657	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	112.0670	0.000	1	112.0670	0.000	1	111.9707	0.031	3	111.9707	0.031	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:3:3:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	111.9225	0.221	2	111.9225	0.049	2	111.9707	0.031	3	111.9707	0.031	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	114.0710	0.000	1	114.0710	0.000	1	114.0710	0.000	1	113.4880	6.075	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:1:	3:3:4:	4:4:1:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(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[5a]C[6]H)(C[6]C[6]HH)(O){1|C<3>,2|N<3>,4|H<1>}	113.1965	3.412	2	113.1965	11.640	2	113.1965	11.640	2	113.4880	6.075	3	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:3:	3:3:4:	4:4:1:	C[5a]-3:C[6]-4:C[6]-3:C-3:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(O){1|C<3>,2|N<3>,4|H<1>}	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	3:4:3:4:	3:3:4:	4:3:2:	C[5a]-3:C[6]-4:C[6]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C)	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC){1|C<4>,4|C<3>,4|H<1>}	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	4:3:3:1:	3:3:4:	4:3:1:	C[6]-4:C[5a]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]H)(H)	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	0:SP3_SP2_SP2	C[6]	C[5a]	C[6]	4:3:3:1:	4:3:2:	4:3:3:	C[6,6]-4:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H)	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO)	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]C[5a]H)(C[6]O[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.1101	3.635	102	111.2447	5.279	123
466	727	762	6:SP3_SP2_SP2	C[3x6]	C[5a,6,6]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	106.2679	0.693	7	105.5157	1.788	15	105.5157	1.788	15	105.5157	1.788	15	105.7711	1.676	19	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[3x6]	C[5a,6,6]	C[6,6]	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|Ni<4>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]H)(H){1|C<4>,2|C<3>,3|H<1>}	104.8576	1.451	8	105.5157	1.788	15	105.5157	1.788	15	105.5157	1.788	15	105.7711	1.676	19	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[3x6]	C[5a,6,6]	C[6,6]	3:4:3:1:	3:4:3:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6])	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	106.7815	0.610	2	106.7815	0.372	2	106.7287	0.164	4	106.7287	0.164	4	105.7711	1.676	19	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[3x6]	C[5a,6,6]	C[6,6]	3:4:3:1:	3:4:3:	4:3:3:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	106.6760	0.330	2	106.6760	0.109	2	106.7287	0.164	4	106.7287	0.164	4	105.7711	1.676	19	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[4x6]	C[5a,6,6]	C[3x6]	3:4:3:4:	3:3:4:	4:4:1:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-3:C-4:	C[5a,6a]-3:C[5a,6,6]-3:C[4x6]-4:	C[4x6]-4:C[4x6]-4:O-1:	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3)	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C)	C[3x6](C[4x6]C[5a,6,6]C[4x6]C)(C[4x6]C[4x6]C[6,6]C)(O)	C[4x6](C[5a,6,6]C[5a,6,6]C[5a,6a])(C[4x6]C[3x6]C[6,6]H)(C[3x6]C[4x6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[5a,6,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6,6]C[4x6]N[5a])(C[4x6]C[3x6]C[4x6]C){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[5a,6,6]C[4x6]C)(C[4x6]C[4x6]C[6,6]C)(O){1|C<4>,3|C<3>,4|H<1>}	94.5717	0.000	1	94.5717	0.000	1	94.5717	0.000	1	94.5717	0.000	1	94.5717	0.000	1	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6,6]	C[5a,6,6]	C[6]	3:3:4:2:	3:3:4:	4:3:1:	C[5a,6,6]-3:C[6]-3:C[6]-4:O-2:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH)	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2O)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:2:1:	3:4:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:S[6]-2:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[6,6]C[6,6]S[6]H)(N[5a]C[5a,6a]H)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[6,6]C[6,6]S[6]H)(N[5a]C[5a,6a]H){1|N<3>,6|C<3>}	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	111.6510	0.000	1	106.9198	5.229	12	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(O)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	106.9198	5.229	12	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:3:4:	3:3:4:	3:4:3:	C[5a,6]-3:C[6,6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a,6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6,6]C[6,6]C[6]C){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	107.7970	0.896	4	107.7970	0.803	4	107.7970	0.803	4	107.7970	0.803	4	106.9198	5.229	12	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C){1|C<4>,2|C<3>,4|H<1>}	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	108.5460	0.000	1	106.9198	5.229	12	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:4:3:	3:4:3:	4:4:1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2H)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2H)(O){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	104.6220	0.000	1	104.6220	0.000	1	104.6220	0.000	1	104.6220	0.000	1	106.9198	5.229	12	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6,6]	3:3:4:4:	3:4:3:	4:4:1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H)	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]N[6]HH)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5a,6]C[6]C)(C[6,6]C[6]2C)(O){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	104.9205	1.360	4	104.9205	1.849	4	104.9205	1.849	4	104.9205	1.849	4	106.9198	5.229	12	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	C[6]	3:3:3:3:	4:3:2:	4:3:3:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6]-4:C[6]-3:N-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	C[5a,6](C[6,6]N[6,6]C[6]2)(C[5a,6]N[5a]C[6])(N[5a]O[5a])	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6](C[6,6]N[6,6]C[6]2)(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|O<1>,2|N<3>,4|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	107.1310	0.000	1	107.1310	0.000	1	107.1310	0.000	1	107.1310	0.000	1	107.1310	0.000	1	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:1:1:	3:4:2:	4:4:3:	C[5a,6]-3:C[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	105.0750	0.000	1	105.0750	0.000	1	105.0750	0.000	1	105.0750	0.000	1	107.4488	1.839	5	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[5a,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>}	108.0520	0.000	1	108.0422	0.104	4	108.0422	0.104	4	108.0422	0.104	4	107.4488	1.839	5	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){2|H<1>,4|C<3>}	C[6,6](C[6]C[5a,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>}	108.0390	0.395	3	108.0422	0.104	4	108.0422	0.104	4	108.0422	0.104	4	107.4488	1.839	5	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	112.0980	0.000	1	112.0980	0.000	1	112.4545	0.254	2	111.2258	2.149	4	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	112.8110	0.000	1	112.8110	0.000	1	112.4545	0.254	2	111.2258	2.149	4	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	109.7190	0.000	1	109.7190	0.000	1	109.9970	0.155	2	111.2258	2.149	4	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	110.2750	0.000	1	110.2750	0.000	1	109.9970	0.155	2	111.2258	2.149	4	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3){2|C<3>,2|H<1>}	113.2880	0.000	1	113.2880	0.000	1	113.2085	0.013	2	113.2085	0.013	2	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:3:4:	4:3:4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3){2|C<3>,2|H<1>}	113.1290	0.000	1	113.1290	0.000	1	113.2085	0.013	2	113.2085	0.013	2	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:3:4:	4:4:1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:3:4:	4:4:3:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HH)(CN[5]H){2|H<1>,4|C<3>}	110.1130	0.000	1	110.1130	0.000	1	110.1130	0.000	1	110.1130	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:4:2:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	N[5,6]-3:C[6]-4:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[5,6]O)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a])	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[5,6]O)(H)2{2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	110.6090	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:4:2:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:N[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	113.3845	0.029	2	113.3845	0.001	2	113.3845	0.001	2	112.6427	1.651	3	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:1:1:	3:4:2:	4:3:1:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H){1|C<3>,1|S<2>,2|H<1>}	111.1590	0.000	1	111.1590	0.000	1	111.1590	0.000	1	112.6427	1.651	3	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:2:	3:4:2:	4:3:1:	C[5a,6]-3:C[6]-3:O-2:O-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a])	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2{1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	108.5885	0.128	2	108.5885	0.016	2	108.5885	0.016	2	108.5885	0.016	2	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:2:2:	3:4:2:	4:3:2:	C[5a,6]-3:C[6]-3:O-2:O-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:O-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a])	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(OC)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2{1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a]){1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	107.9960	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O){1|C<4>,6|C<3>}	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	109.5147	4.517	3	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]H)(H){4|C<3>}	107.3040	0.000	1	107.3040	0.000	1	107.3040	0.000	1	109.5147	4.517	3	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	109.5147	4.517	3	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:3:4:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:3:4:	4:3:3:	C[5a,6]-3:C[6]-3:N-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,2|H<1>}	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	112.1990	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:3:4:	4:4:1:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	C[6](C[6]C[5a,6]HN)(C[6]C[6,6]HH)(O)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5a,6]HN)(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>}	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:4:2:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<2>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){1|S<2>,3|C<3>}	105.9930	0.000	1	105.9930	0.000	1	105.9930	0.000	1	105.9930	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){6|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	107.5652	0.195	4	107.5652	0.038	4	107.5652	0.038	4	107.5652	0.038	4	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	106.3087	0.518	3	106.3332	0.181	4	106.3332	0.181	4	106.3332	0.181	4	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:4:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(CN){4|C<3>}	106.4070	0.000	1	106.3332	0.181	4	106.3332	0.181	4	106.3332	0.181	4	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	107.6245	1.963	6	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	106.8907	0.270	4	106.8907	0.073	4	107.5814	2.440	5	107.6245	1.963	6	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	110.3440	0.000	1	110.3440	0.000	1	107.5814	2.440	5	107.6245	1.963	6	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:2:	3:4:3:	4:4:1:	C[5a,6]-3:C[6a]-3:C[6]-3:O-2:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C)	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6]HH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]O)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,4|C<3>}	106.6980	0.000	1	106.6980	0.000	1	106.6980	0.000	1	106.6980	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:3:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:C-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(COO)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC)	C[6](C[6]C[5a,6]CC)(C[6]O[6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(COO)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]O[6]C)(H){2|C<3>}	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	108.7780	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:3:	3:3:4:	4:4:1:	C[5a,6]-3:C[6]-3:C-3:N-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN)	C[6](C[6]C[5a,6]CN)(C[6]C[6,6]HH)(O)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5a,6]CN)(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>}	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:I-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|Br<1>,2|C<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I){1|N<3>,2|H<1>,5|C<3>}	108.3010	0.000	1	108.3010	0.000	1	108.0750	0.102	2	108.0750	0.102	2	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:3:	3:4:3:	4:3:1:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:I-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C)	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]I)(I)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|I<1>,2|C<4>,4|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]2C[6])(C[5a]C[5a,6a]C){1|I<1>,2|H<1>,7|C<3>}	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]I)(I){1|N<3>,2|H<1>,5|C<3>}	107.8490	0.000	1	107.8490	0.000	1	108.0750	0.102	2	108.0750	0.102	2	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:3:4:	3:4:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C)	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]C)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a]C)(C[6]O[6]N)(CN){4|C<3>}	105.3620	0.000	1	105.3620	0.000	1	105.3620	0.000	1	105.3620	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH)	C[6](C[6]C[5a,6]CH)(C[6]C[6a]O[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6a]O[6])(H){4|C<3>}	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	109.2340	4.405	2	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH)	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	109.2340	4.405	2	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:3:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC)	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]S[6]H)(H){2|C<3>}	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:3:	3:3:4:	4:3:2:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,2|C<3>}	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:4:	3:3:4:	3:4:1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5,6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[5,6]H)(CH3)2	C[5a,6](C[5a,6,6a]C[5,6,6a]N[5a,6a])(C[5a]C[5a]C)(C[6]C[6]CC)	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[5,6]H)(CH3)2{2|N<3>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5,6,6a]N[5a,6a])(C[5a]C[5a]C)(C[6]C[6]CC){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H){5|C<3>}	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	112.3800	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:4:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(CH3)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC)	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	109.0656	5.638	52	107.8081	8.106	91
466	727	762	6:SP3_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:4:4:	3:3:4:	4:3:2:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(CH3){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[5a,6]CC)(C[6]O[6]N)(CN){2|C<3>}	106.1515	0.378	2	106.1515	0.143	2	106.1515	0.143	2	106.1515	0.143	2	109.0656	5.638	52	107.8081	8.106	91
466	727	790	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	Cl	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:Cl-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl)	C[5a,6](C[6,6]C[5,6]N[6,6]Cl)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	Cl(C[6,6]C[5a,6]C[5,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl){3|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[6,6]C[5,6]N[6,6]Cl)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Cl(C[6,6]C[5a,6]C[5,6]N[6,6])	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	108.8577	0.344	3
466	727	790	0:SP3_SP-NON_SP2	C[6]	C[5a]	Cl	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:Cl-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl)	C[5a](C[6]C[6,6a]2Cl)(C[5a]C[5a]C)(N[5a]O[5a])	Cl(C[6]C[6,6a]2C[5a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl){1|O<2>,2|H<1>,7|C<3>}	C[5a](C[6]C[6,6a]2Cl)(C[5a]C[5a]C)(N[5a]O[5a]){1|C<4>,4|C<3>}	Cl(C[6]C[6,6a]2C[5a])	108.5205	0.080	2	108.5205	0.006	2	108.5205	0.006	2	108.5205	0.006	2	108.5205	0.006	2	108.8577	0.344	3
466	727	813	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H)	C[5a,6](C[6,6]N[5a,6]C[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6,6]N[5a,6]C[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,5|C<3>}	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	108.9950	0.000	1	110.2408	1.618	11
466	727	813	0:SP3_SP2_SP2	C[6]	C[5a,6]	N[5a]	3:3:4:1:	3:3:4:	4:3:3:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H)	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H){1|S<4>,2|N<3>,3|H<1>,4|C<3>}	N[5a](C[6]C[5a,6]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.2390	0.000	1	110.2408	1.618	11
466	727	813	0:SP3_SP2_SP2	C[6]	C[5a]	N[5a,6]	3:3:2:4:	3:4:3:	3:4:3:	N[5a,6]-3:C[5a]-3:O[6]-2:C-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[5a]C[5a,6a]C[5a])(O[6]C[6])(CF3){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]N[5a,6]O[6]C)(C[5a]N[5a]H){1|H<1>,1|S<4>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	111.6005	1.367	2	111.6005	1.868	2	111.6005	1.868	2	111.6005	1.868	2	110.3794	1.807	9	110.2408	1.618	11
466	727	813	0:SP3_SP2_SP2	C[6]	C[5a]	N[5a,6]	3:3:3:1:	4:3:2:	3:3:4:	N[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H)	C[5a](C[6]N[5a,6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[5a](C[6]N[5a,6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H){1|S<2>,2|H<1>,5|C<3>}	110.9655	2.073	2	110.9655	4.295	2	110.9655	4.295	2	110.9655	4.295	2	110.3794	1.807	9	110.2408	1.618	11
466	727	813	0:SP3_SP2_SP2	C[6]	C[5a]	N[5a,6]	3:3:4:1:	4:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	108.7550	0.000	1	109.4880	0.887	3	109.4880	0.887	3	109.6566	0.502	5	110.3794	1.807	9	110.2408	1.618	11
466	727	813	0:SP3_SP2_SP2	C[6]	C[5a]	N[5a,6]	3:3:4:1:	4:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	109.8545	0.984	2	109.4880	0.887	3	109.4880	0.887	3	109.6566	0.502	5	110.3794	1.807	9	110.2408	1.618	11
466	727	813	0:SP3_SP2_SP2	C[6]	C[5a]	N[5a,6]	3:3:4:1:	4:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	109.9095	0.151	2	109.9095	0.023	2	109.9095	0.023	2	109.6566	0.502	5	110.3794	1.807	9	110.2408	1.618	11
466	727	813	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[5a,6]	3:3:2:1:	3:4:2:	3:4:3:	C[5a,6]-3:N[5a,6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1
466	727	813	6:SP3_SP2_SP3	C[6,6]	C[5a,6,6]	N[5a,6]	3:3:4:1:	4:3:3:	4:3:3:	N[5a,6]-3:C[5a,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[5a,6,6](C[6,6]N[5a,6]C[6]H)(C[5a,6]C[5a]C[6])(C[5a,6]S[5a]C[6])	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6,6](C[6,6]N[5a,6]C[6]H)(C[5a,6]C[5a]C[6])(C[5a,6]S[5a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N[5a,6](C[6,6]C[5a,6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	106.2980	2.122	2
466	727	813	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[5a,6]	3:3:3:1:	3:4:3:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]N[5a,6]C[6a]H)(C[5a]S[5a]H)	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]N[5a,6]C[6a]H)(C[5a]S[5a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	106.2980	2.122	2
466	727	818	0:SP3_SP2_SP2	C[6]	C[5a]	C[5,6]	3:3:3:1:	4:3:2:	4:3:3:	C[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	C[5,6](C[6]C[5a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	112.0490	0.000	1	108.5005	25.184	2
466	727	818	0:SP3_SP2_SP2	C[6]	C[5a]	C[5]	3:3:4:4:	4:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6]-4:C[6]-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:C[5]-3:N[5]-2:	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2	C[5a](C[6]C[5]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5])	C[6](C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<4>,4|C<3>,7|H<1>}	C[5a](C[6]C[5]C[6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[6]C[5a]C[6]2)(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	104.9520	0.000	1	104.9520	0.000	1	104.9520	0.000	1	104.9520	0.000	1	104.9520	0.000	1	108.5005	25.184	2
466	727	849	6:SP3_SP2_SP3	C[6]	C[5a,6]	P[6]	3:4:3:1:	3:4:2:	3:4:3:1:	C[5a,6]-3:P[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[6]-4:C[6a]-3:S-1:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]H)(S[5a]C[5a])	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(S)	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]H)(S[5a]C[5a]){1|S<1>,2|H<1>,5|C<3>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(S){1|S<2>,2|H<1>,7|C<3>}	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	108.8165	3.183	2	108.8165	3.183	2
466	727	849	6:SP3_SP2_SP3	C[6]	C[5a,6]	P[6]	3:4:3:2:	3:4:2:	3:4:3:1:	C[5a,6]-3:P[6]-4:C[6a]-3:O-2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[6]-4:C[6a]-3:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]O)(S[5a]C[5a])	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(O)	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH){1|S<2>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]O)(S[5a]C[5a]){1|O<1>,2|H<1>,5|C<3>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(O){1|S<2>,2|H<1>,7|C<3>}	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	108.8165	3.183	2	108.8165	3.183	2
466	727	854	0:SP3_SP2_SP3	C[6]	C[5a]	N[6,6]	4:3:4:1:	4:3:3:	4:4:4:1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){3|C<4>,4|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	110.3280	0.000	1	110.7455	0.349	2	110.7455	0.349	2	110.7455	0.349	2	110.7455	0.349	2	109.7020	3.441	3
466	727	854	0:SP3_SP2_SP3	C[6]	C[5a]	N[6,6]	4:3:4:1:	4:3:3:	4:4:4:1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){3|C<4>,4|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	111.1630	0.000	1	110.7455	0.349	2	110.7455	0.349	2	110.7455	0.349	2	110.7455	0.349	2	109.7020	3.441	3
466	727	854	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:4:4:	4:3:2:	4:4:1:1:	C[5a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	107.6150	0.000	1	109.7020	3.441	3
466	727	854	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:4:1:	4:3:3:	4:4:4:1:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	106.0510	0.000	1	106.0510	0.000	1	106.0510	0.000	1	106.0510	0.000	1	106.0510	0.000	1	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:4:1:	3:4:2:	4:4:4:1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:O[5a]-2:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(O[5a]C[5a,6a])	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(O[5a]C[5a,6a]){2|C<3>,3|H<1>,5|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	104.8380	0.280	6	104.8380	0.079	6	104.8380	0.079	6	104.8380	0.079	6	106.1701	2.643	11	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:4:1:	3:4:3:	4:4:4:1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	107.7686	0.653	5	106.1701	2.643	11	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:4:1:	3:4:3:	4:4:4:1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	108.3775	0.631	2	108.3775	0.399	2	108.3775	0.399	2	107.7686	0.653	5	106.1701	2.643	11	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:4:1:	3:4:3:	4:4:4:1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	106.9830	0.334	2	106.9830	0.111	2	106.9830	0.111	2	107.7686	0.653	5	106.1701	2.643	11	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:4:2:	4:4:1:1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a])	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	106.2620	0.000	1	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:4:3:	4:4:1:1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:4:3:	4:4:4:1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	107.1850	0.000	1	107.1850	0.000	1	107.1850	0.000	1	107.1850	0.000	1	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:1:1:	3:3:4:	4:4:1:1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH){2|C<4>,4|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	108.5820	0.000	1	108.5820	0.000	1	107.7685	1.324	2	107.7685	1.324	2	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:1:1:	3:3:4:	4:4:1:1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH){1|C<4>,4|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	106.9550	0.000	1	106.9550	0.000	1	107.7685	1.324	2	107.7685	1.324	2	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<4>,4|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	109.9615	3.801	2	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	109.9615	3.801	2	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:1:1:	3:4:2:	4:4:1:1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(O[5a]N[5a])	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(O[5a]N[5a]){1|C<4>,1|O<2>,4|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	105.7950	0.154	3	105.7950	0.024	3	105.7950	0.024	3	105.7950	0.024	3	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:4:1:	3:3:4:	4:4:1:1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	105.6915	0.069	2	105.6915	0.005	2	105.6672	0.042	5	105.6672	0.042	5	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:4:1:	3:3:4:	4:4:1:1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	105.7840	0.000	1	105.7840	0.000	1	105.6672	0.042	5	105.6672	0.042	5	106.6798	2.742	15	106.4489	2.563	27
466	727	854	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:4:1:	3:3:4:	4:4:1:1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	105.5845	0.367	2	105.5845	0.135	2	105.6672	0.042	5	105.6672	0.042	5	106.6798	2.742	15	106.4489	2.563	27
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:3:3:	4:3:2:	4:3:3:	C[5a,6]-3:N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O)	C[5a,6](C[6,6]N[6,6]C[6]2)(C[5a,6]N[5a]C[6])(N[5a]O[5a])	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6]C[6]N)(C[6]C[6]O){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6](C[6,6]N[6,6]C[6]2)(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|O<1>,2|N<3>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C)	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,3|C<3>}	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.7127	1.132	9	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	C[5a,6]-3:C[6,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	111.7127	1.132	9	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:3:4:	4:3:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|C<4>,2|S<2>,3|C<3>,4|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	110.7150	0.000	1	111.9037	1.113	3	111.9037	1.113	3	111.9037	1.113	3	111.7127	1.132	9	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:3:4:	4:3:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|S<2>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	112.2670	0.000	1	111.9037	1.113	3	111.9037	1.113	3	111.9037	1.113	3	111.7127	1.132	9	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:3:4:	4:3:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|S<2>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>,3|H<1>}	112.7290	0.000	1	111.9037	1.113	3	111.9037	1.113	3	111.9037	1.113	3	111.7127	1.132	9	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:4:3:	4:3:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.7127	1.132	9	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:4:3:	4:4:3:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:C[6]-4:C-3:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,3|H<1>}	110.6410	0.515	2	110.6410	0.265	2	110.6410	0.265	2	110.6410	0.265	2	111.7127	1.132	9	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H)	C[5a,6](C[6,6]C[3x6]N[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[6,6]C[3x6]N[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	113.6730	0.000	1	111.7127	1.132	9	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6,6]	C[5a]	N[6]	3:4:3:2:	4:3:2:	4:3:1:	C[5a]-3:C[6,6]-4:N[6]-3:O[6]-2:	C[6,6]-4:C[5a]-3:O[5a]-2:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a])	C[5a](C[6,6]C[6,6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[5a]C[5a]O[5a])(C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(O[6]C[6,6a]){2|H<1>,6|C<3>}	C[5a](C[6,6]C[6,6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6,6]	3:3:3:1:	4:3:2:	4:3:4:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	C[5a](C[6]C[6,6a]N[6,6]H)(C[5a]C[5a]H)(S[5a]C[5a])	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5a](C[6]C[6,6a]N[6,6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){1|S<2>,2|H<1>,5|C<3>}	110.3430	0.946	2	110.3430	0.895	2	110.3430	0.895	2	110.3430	0.895	2	110.0610	0.686	3	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6,6]	3:3:4:1:	4:3:2:	4:3:4:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	110.0610	0.686	3	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:2:	3:4:1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(O[5a]C[5a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(O[5a]C[5a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	113.0650	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:2:	4:3:3:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(O[5a]C[5a])	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(O[5a]C[5a]){3|C<3>,3|H<1>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	3:4:4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	116.9400	0.000	1	116.9400	0.000	1	116.9400	0.000	1	116.9400	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[5a]S[5a]B[5])(C[6]C[6]N[6]H)(C[5a]C[5a]H)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,1|S<2>}	C[5a](C[5a]S[5a]B[5])(C[6]C[6]N[6]H)(C[5a]C[5a]H){2|H<1>,2|O<2>,3|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	109.8930	0.132	2	109.8930	0.017	2	109.8930	0.017	2	109.8930	0.017	2	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	109.3430	0.000	1	109.3430	0.000	1	110.2165	1.526	2	110.2165	1.526	2	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	111.0900	0.000	1	111.0900	0.000	1	110.2165	1.526	2	110.2165	1.526	2	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	4:3:4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|H<1>,3|C<4>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,4|C<3>}	112.9040	0.000	1	112.9040	0.000	1	112.9040	0.000	1	112.8540	0.005	2	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH){1|H<1>,4|C<3>}	112.8040	0.000	1	112.8040	0.000	1	112.8040	0.000	1	112.8540	0.005	2	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO){2|H<1>,4|C<3>}	113.8255	0.036	2	113.8255	0.001	2	113.8255	0.001	2	113.8255	0.001	2	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	3:4:1:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	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)	C[5a](C[6]N[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	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>}	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>}	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>}	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	112.0457	1.081	3	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	3:4:1:	N[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H)	C[5a](C[6]N[5a,6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[5a](C[6]N[5a,6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H){1|H<1>,1|S<2>,5|C<3>}	111.8595	1.398	2	111.8595	1.954	2	111.8595	1.954	2	112.0457	1.081	3	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,1|N<2>,3|C<3>}	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	110.0993	0.556	3	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|O<2>,3|C<3>}	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	110.0993	0.556	3	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,1|S<2>,3|C<3>}	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.0993	0.556	3	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:3:3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){4|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	108.6450	0.137	3	108.6450	0.019	3	108.6450	0.019	3	108.6450	0.019	3	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:3:4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,5|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	109.7020	0.000	1	109.7020	0.000	1	111.0254	1.908	5	111.0254	1.908	5	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:3:4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	111.3563	1.347	4	111.3563	1.814	4	111.0254	1.908	5	111.0254	1.908	5	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:4:3:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H)	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	111.9460	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:3:	3:4:3:	3:4:1:	C[5a]-3:N[6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[5a]-3:N[6]-3:C-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO)	C[5a](C[6]C[6,6a]N[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]N[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H){1|N<3>,3|C<3>}	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:4:1:	3:4:3:	4:3:4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|C<3>,6|H<1>}	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:4:1:	4:3:2:	4:3:3:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,4|H<1>,5|C<3>}	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.3640	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:3:4:3:	4:3:3:	4:3:1:	C[5a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[5a](C[6]C[6a]C[6]N[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|S<2>,2|O<1>,4|C<3>,4|H<1>}	C[5a](C[6]C[6a]C[6]N[6])(C[5a]C[5a]H)(C[5a]S[5a]H){4|C<3>,4|H<1>}	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	108.3900	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	3:4:2:	4:3:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	3:4:3:	3:4:1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	3:4:3:	4:3:4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:3:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:3:4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-3:C-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	109.7840	0.178	2	109.7840	0.032	2	109.7840	0.032	2	110.0997	0.315	3	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:3:4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-3:C-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	110.7310	0.000	1	110.7310	0.000	1	110.7310	0.000	1	110.0997	0.315	3	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|S<2>,3|C<3>,3|H<1>}	108.9670	0.000	1	108.9670	0.000	1	109.5070	0.583	2	109.5070	0.583	2	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|S<2>,3|C<3>,3|H<1>}	110.0470	0.000	1	110.0470	0.000	1	109.5070	0.583	2	109.5070	0.583	2	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)2(CCO){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	112.1680	0.000	1	112.2150	0.200	3	112.3742	0.225	6	112.3742	0.225	6	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)2(CCO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	112.2385	0.630	2	112.2150	0.200	3	112.3742	0.225	6	112.3742	0.225	6	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(CC[6a]O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)2(CC[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	111.9240	0.000	1	111.9240	0.000	1	112.3742	0.225	6	112.3742	0.225	6	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(CCO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5a]C[6]H)2(CCO){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	112.7560	0.000	1	112.7560	0.000	1	112.3742	0.225	6	112.3742	0.225	6	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:3:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(CC[6a]O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5a]C[6]H)2(CC[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	112.9200	0.000	1	112.9200	0.000	1	112.3742	0.225	6	112.3742	0.225	6	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP2	C[6]	C[5a]	N[6]	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:N[6]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	110.9663	3.414	48	110.9927	3.056	62
466	727	856	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:3:4:	4:4:4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H)	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	113.2895	0.599	2	113.2895	0.359	2	113.2895	0.359	2	113.2895	0.359	2	111.2108	7.340	9	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6,6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	111.8737	6.412	3	111.2108	7.340	9	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<3>,4|C<4>,5|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	111.6915	3.553	2	111.6915	12.625	2	111.6915	12.625	2	111.8737	6.412	3	111.2108	7.340	9	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	109.4520	0.000	1	109.4520	0.000	1	111.6665	9.808	2	109.6743	8.711	4	111.2108	7.340	9	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.8810	0.000	1	113.8810	0.000	1	111.6665	9.808	2	109.6743	8.711	4	111.2108	7.340	9	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:S-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.2090	0.000	1	107.2090	0.000	1	107.6820	0.447	2	109.6743	8.711	4	111.2108	7.340	9	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:S-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|S<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	108.1550	0.000	1	108.1550	0.000	1	107.6820	0.447	2	109.6743	8.711	4	111.2108	7.340	9	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6,6]	C[5a]	N[6,6]	4:3:3:1:	4:3:2:	4:4:4:	C[5,5,6,6]-4:C[5a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:O[5a]-2:	C[6,6]-4:P[3,6,6]-4:C-4:	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H)	C[5a](C[6,6]C[5,5,6,6]N[6,6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3)	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H){1|H<1>,1|W<6>,4|C<3>,4|C<4>}	C[5a](C[6,6]C[5,5,6,6]N[6,6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|P<4>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]N[6]2H)	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]N[6]2H){2|H<1>,4|C<4>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	110.1290	1.713	2	110.1290	2.933	2	110.1290	2.933	2	110.1290	2.933	2	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:2:	4:3:1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a])	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a]){2|N<3>,4|H<1>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	111.3715	0.313	2	110.7168	0.693	4	110.7168	0.693	4	110.7168	0.693	4	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:2:	4:3:1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a])	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a]){2|N<3>,4|H<1>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	110.0620	0.516	2	110.7168	0.693	4	110.7168	0.693	4	110.7168	0.693	4	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:2:	4:4:4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-4:C-4:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(S[5a]C[5a])	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(S[5a]C[5a]){2|H<1>,4|C<4>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	110.3490	0.051	2	110.3490	0.003	2	110.3490	0.003	2	110.3490	0.003	2	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	3:4:4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	116.2503	0.132	3	116.2503	0.018	3	116.2503	0.018	3	116.2503	0.018	3	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	4:3:4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	N[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a])	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	110.2340	2.738	2	110.2340	7.496	2	110.2340	7.496	2	110.2340	7.496	2	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:S[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	N[6](C[6]C[6,6a]C[5a]H)(S[6]O[6]OO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(S[6]O[6]OO)(H){4|C<3>}	106.8820	0.000	1	106.8820	0.000	1	106.8820	0.000	1	106.8820	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	4:2:2:	4:4:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6]-4:C[6]-4:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a])	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	3:4:4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H)	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H){2|H<1>,6|C<3>}	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	108.8240	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:4:3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6]-4:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H){2|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	111.7850	0.000	1	111.7850	0.000	1	111.7850	0.000	1	111.7850	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[5]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	111.3160	2.130	2	111.3160	4.536	2	111.3160	4.536	2	111.3160	4.536	2	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:C[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:3:	4:4:2:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	109.8457	0.957	3	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:1:	4:3:3:	4:4:2:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	109.4190	0.907	2	109.4190	0.822	2	109.4190	0.822	2	109.8457	0.957	3	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:3:	4:3:2:	3:4:1:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[5a](C[6]C[6a]N[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	C[5a](C[6]C[6a]N[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H){1|O<2>,2|H<1>,6|C<3>}	107.0240	0.000	1	107.0240	0.000	1	107.0240	0.000	1	107.0240	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:3:	4:3:2:	4:3:1:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[5a](C[6]C[6a]N[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	C[5a](C[6]C[6a]N[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,6|C<3>}	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H){1|H<1>,1|O<2>,5|C<3>}	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:4:	3:4:3:	4:4:1:	C[5a,6]-3:C[5a]-3:N[6]-3:C-4:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H)	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]N[6]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	114.2900	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:3:4:	4:3:3:	3:4:1:	C[5a]-3:N[6]-3:C[6]-3:C-4:	C[6]-4:C[5a]-3:N[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3)	C[5a](C[6]C[6]N[6]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(CF3){2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:4:1:	3:4:3:	3:4:1:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:3:4:1:	3:4:3:	4:3:4:	N[6]-3:C[5a]-3:C[6]-4:H-1:	C[5a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	3:4:3:	3:4:1:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:2:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	109.6197	0.785	4	109.5164	0.515	5	109.6398	0.504	6	109.6398	0.504	6	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:2:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	109.1030	0.000	1	109.5164	0.515	5	109.6398	0.504	6	109.6398	0.504	6	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:2:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){1|H<1>,5|C<3>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	110.2570	0.000	1	110.2570	0.000	1	109.6398	0.504	6	109.6398	0.504	6	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	109.2300	0.000	1	109.2300	0.000	1	108.5605	0.896	2	108.9998	0.945	5	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)2(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	107.8910	0.000	1	107.8910	0.000	1	108.5605	0.896	2	108.9998	0.945	5	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H){1|N<2>,1|N<3>,3|C<4>}	109.3365	1.493	2	109.3365	2.228	2	109.2927	1.120	3	108.9998	0.945	5	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<2>,4|H<1>}	109.2050	0.000	1	109.2050	0.000	1	109.2927	1.120	3	108.9998	0.945	5	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:S-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.9015	0.148	2	110.9015	0.022	2	110.3143	1.045	3	110.3143	1.045	3	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:S-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	109.1400	0.000	1	109.1400	0.000	1	110.3143	1.045	3	110.3143	1.045	3	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	3:4:3:4:	4:3:2:	4:4:1:	C[5a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3)	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<2>,4|H<1>}	109.0290	0.201	2	109.0290	0.040	2	109.0290	0.040	2	109.0290	0.040	2	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	4:3:3:1:	4:3:2:	3:4:1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	108.4510	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	0:SP3_SP2_SP3	C[6]	C[5a]	N[6]	4:3:3:1:	4:3:2:	4:4:1:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H)	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H){1|O<2>,3|C<3>,3|C<4>}	115.6860	0.000	1	115.6860	0.000	1	115.6860	0.000	1	115.6860	0.000	1	110.6183	5.386	49	110.6604	5.662	59
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:2:4:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:O[6]-2:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]O[6]C)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(O[6]C[6])(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]O[6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:3:1:	3:4:3:	3:4:4:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C[5a,6](C[6,6]C[6,6a]N[6,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]N[6,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	107.4870	0.000	1	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	107.5520	2.755	2	107.3163	3.961	3	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	106.8450	0.000	1	107.3163	3.961	3	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	106.1880	0.000	1	106.1880	0.000	1	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	109.0890	0.000	1	109.0890	0.000	1	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,5|H<1>}	108.2920	0.000	1	107.4425	1.443	2	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	106.5930	0.000	1	107.4425	1.443	2	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,4|H<1>}	108.6525	0.694	2	107.8165	1.225	4	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	106.9805	0.630	2	107.8165	1.225	4	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	107.7140	0.000	1	107.7140	0.000	1	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	107.8530	0.147	2	107.8530	0.022	2	107.6284	1.375	14	107.6284	1.375	14	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	104.2520	0.000	1	105.0653	1.958	3	105.5337	1.415	6	105.5337	1.415	6	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	106.6810	0.000	1	105.0653	1.958	3	105.5337	1.415	6	105.5337	1.415	6	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	104.2630	0.000	1	105.0653	1.958	3	105.5337	1.415	6	105.5337	1.415	6	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	107.0900	0.000	1	107.0900	0.000	1	105.5337	1.415	6	105.5337	1.415	6	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	105.2750	0.000	1	105.2750	0.000	1	105.5337	1.415	6	105.5337	1.415	6	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	105.6410	0.000	1	105.6410	0.000	1	105.5337	1.415	6	105.5337	1.415	6	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:3:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	107.6135	0.460	2	107.6135	0.212	2	107.9210	1.781	5	107.9210	1.781	5	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:3:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	108.7720	0.000	1	108.7720	0.000	1	107.9210	1.781	5	107.9210	1.781	5	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:3:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	106.0750	0.000	1	106.0750	0.000	1	107.9210	1.781	5	107.9210	1.781	5	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:3:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	109.5310	0.000	1	109.5310	0.000	1	107.9210	1.781	5	107.9210	1.781	5	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	103.8310	0.000	1	104.6955	1.495	2	104.6955	1.495	2	104.6955	1.495	2	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	105.5600	0.000	1	104.6955	1.495	2	104.6955	1.495	2	104.6955	1.495	2	107.0265	2.586	30	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:4:3:	3:4:2:	4:3:1:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-3:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|N<2>,4|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){1|C<3>,4|C<4>,5|H<1>}	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|N<2>,1|N<3>,4|C<4>,4|H<1>}	107.6653	0.504	4	107.6558	0.191	5	107.6558	0.191	5	107.6558	0.191	5	107.6558	0.191	5	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:4:3:	3:4:2:	4:3:1:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-3:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H)	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]H){1|O<1>,2|C<4>,2|N<2>,4|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){2|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	107.6180	0.000	1	107.6558	0.191	5	107.6558	0.191	5	107.6558	0.191	5	107.6558	0.191	5	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C){2|C<3>,2|C<4>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	109.3870	0.042	2	109.3870	0.002	2	109.3870	0.002	2	109.3870	0.002	2	109.2631	0.108	8	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:3:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|O<1>,3|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	109.6840	0.000	1	109.6840	0.000	1	109.2065	0.456	2	109.2065	0.456	2	109.2631	0.108	8	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:3:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]CH)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,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]N[6,6]CH){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	108.7290	0.000	1	108.7290	0.000	1	109.2065	0.456	2	109.2065	0.456	2	109.2631	0.108	8	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:3:1:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[6,6]C[6a]H)(N[5a]C[5a,6a]H)	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[6,6]C[6a]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	109.2770	0.340	3	109.2770	0.116	3	109.2770	0.116	3	109.2770	0.116	3	109.2631	0.108	8	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:4:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6,6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6,6]-4:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.2631	0.108	8	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:2:4:	4:4:3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|S<2>,2|H<1>}	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[6,6]-3:C[6]-4:C-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	110.0880	0.000	1	110.0880	0.000	1	109.4309	0.452	7	109.7820	1.373	8	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	108.3040	0.000	1	108.3040	0.000	1	109.4309	0.452	7	109.7820	1.373	8	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	108.7360	0.000	1	108.7360	0.000	1	109.4309	0.452	7	109.7820	1.373	8	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	109.7220	0.249	4	109.7220	0.062	4	109.4309	0.452	7	109.7820	1.373	8	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	109.7820	1.373	8	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|S<4>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO){2|C<3>,2|H<1>}	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	107.7960	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HO)	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HO){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|N<3>,2|H<1>}	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:2:	3:3:4:	3:4:3:	C[5a,6]-3:N[6]-3:C-2:S-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[6]-4:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS)	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS){1|C<2>,1|C<3>,1|C<4>,2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS){1|C<4>,2|C<3>}	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:3:4:	4:3:2:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:O[6]-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	102.8900	0.000	1	102.8900	0.000	1	102.8900	0.000	1	102.8900	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:3:4:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-4:N[6]-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[6a]O[5a])(C[6]C[6a]N[6]H)	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[6a]O[5a])(C[6]C[6a]N[6]H){1|C<4>,1|N<2>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:3:4:	4:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO){2|H<1>,4|C<3>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	108.4675	1.426	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	108.4675	1.426	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	106.3930	0.000	1	107.9700	1.582	5	107.9700	1.582	5	107.9700	1.582	5	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	108.3642	1.036	4	107.9700	1.582	5	107.9700	1.582	5	107.9700	1.582	5	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,8|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	106.4150	0.000	1	106.9770	0.632	2	106.9770	0.632	2	106.9770	0.632	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	107.5390	0.000	1	106.9770	0.632	2	106.9770	0.632	2	106.9770	0.632	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	110.2360	0.000	2	110.2360	0.000	2	110.2360	0.000	2	110.2360	0.000	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	107.5660	0.258	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	107.5660	0.258	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:2:4:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	105.2600	0.000	1	105.2600	0.000	1	105.2600	0.000	1	105.2600	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	3:4:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO){1|H<1>,1|N<3>,3|C<3>}	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:3:2:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-3:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:4:2:	4:3:1:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a])	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	109.3505	1.330	2	109.3505	1.769	2	109.3505	1.769	2	109.3505	1.769	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:4:2:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a])	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|S<2>,2|H<1>}	108.1140	0.000	1	108.1140	0.000	1	108.2565	0.041	2	108.2565	0.041	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:4:2:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a])	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO){1|C<3>,1|S<2>,2|H<1>}	108.3990	0.000	1	108.3990	0.000	1	108.2565	0.041	2	108.2565	0.041	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:4:3:	3:4:3:	C[5a,6]-3:N[6]-3:C[5]-4:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5]N[6]H)(C[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5]N[6]H)(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|H<1>,5|C<3>}	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:2:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:C-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CC[6a]HH)(CN){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	107.9465	0.269	2	107.9465	0.073	2	107.9465	0.073	2	107.9465	0.073	2	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO){5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:3:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:4:	3:3:4:	3:4:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]CC){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	108.0610	0.693	2	108.0610	0.480	2	108.2533	0.351	3	108.2533	0.351	3	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:4:	3:3:4:	3:4:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]N[6]CC){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	108.6380	0.000	1	108.6380	0.000	1	108.2533	0.351	3	108.2533	0.351	3	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:4:	3:4:2:	4:3:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CCHH)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a])	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CCHH)2{1|C<4>,1|O<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	107.7420	0.186	4	107.7420	0.035	4	107.7420	0.035	4	107.7420	0.035	4	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:4:	3:4:2:	4:3:3:	C[5a,6]-3:N[6]-3:C-4:C-4:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:C[6]-3:N-3:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]N)(CH3)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a])	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]N)(CH3)2{1|C<4>,1|O<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]N[6]CC)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	108.2328	2.223	50	107.9013	2.489	93
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	C[5a,6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	108.6885	0.216	2	108.6885	0.047	2	108.6885	0.047	2	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|N<3>,2|C<3>,3|H<1>,5|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	109.7420	0.000	1	108.9581	0.209	15	108.9581	0.209	15	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	108.8710	0.329	5	108.9581	0.209	15	108.9581	0.209	15	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	108.4710	0.000	1	108.9581	0.209	15	108.9581	0.209	15	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.2560	0.000	1	108.9581	0.209	15	108.9581	0.209	15	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,5|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	109.3875	0.121	2	108.9581	0.209	15	108.9581	0.209	15	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,7|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	108.2370	0.088	2	108.9581	0.209	15	108.9581	0.209	15	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	109.0180	0.000	1	108.9581	0.209	15	108.9581	0.209	15	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.1405	0.086	2	108.9581	0.209	15	108.9581	0.209	15	108.9264	0.193	17	108.9264	0.193	17	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6]	N[4x6]	3:3:4:1:	4:3:3:	4:4:4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	107.7220	0.000	1	107.4797	0.156	3	106.8119	1.073	8	106.8119	1.073	8	106.8119	1.073	8	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6]	N[4x6]	3:3:4:1:	4:3:3:	4:4:4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	107.3585	0.473	2	107.4797	0.156	3	106.8119	1.073	8	106.8119	1.073	8	106.8119	1.073	8	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6]	N[4x6]	3:3:4:1:	4:3:3:	4:4:4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,6|H<1>}	106.6130	0.000	1	106.9745	0.261	2	106.8119	1.073	8	106.8119	1.073	8	106.8119	1.073	8	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6]	N[4x6]	3:3:4:1:	4:3:3:	4:4:4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	107.3360	0.000	1	106.9745	0.261	2	106.8119	1.073	8	106.8119	1.073	8	106.8119	1.073	8	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6]	N[4x6]	3:3:4:1:	4:3:3:	4:4:4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	105.5120	0.000	1	106.0357	1.868	3	106.8119	1.073	8	106.8119	1.073	8	106.8119	1.073	8	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6]	N[4x6]	3:3:4:1:	4:3:3:	4:4:4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	107.5870	0.000	1	106.0357	1.868	3	106.8119	1.073	8	106.8119	1.073	8	106.8119	1.073	8	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[3x6]	C[5a,6]	N[4x6]	3:3:4:1:	4:3:3:	4:4:4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	105.0080	0.000	1	106.0357	1.868	3	106.8119	1.073	8	106.8119	1.073	8	106.8119	1.073	8	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6,6]	N[6]	3:4:3:1:	3:3:4:	4:4:2:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:O-2:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H)	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	106.2840	0.000	1	106.2840	0.000	1	106.2840	0.000	1	106.2840	0.000	1	107.3480	2.264	2	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6,6]	N[6]	3:4:3:1:	3:3:4:	4:4:4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H)	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	107.3480	2.264	2	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:3:1:	3:4:3:	4:3:4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:N[5a,6]-3:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a])	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){4|C<3>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	3:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:1:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	106.0850	0.000	1	106.0850	0.000	1	106.0850	0.000	1	106.0850	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	108.3000	0.000	1	108.3000	0.000	1	108.0493	0.670	3	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	107.9240	1.116	2	107.9240	1.245	2	108.0493	0.670	3	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	109.6755	0.814	2	109.5747	0.362	3	109.0436	1.817	7	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	109.3730	0.000	1	109.5747	0.362	3	109.0436	1.817	7	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	108.1545	2.781	2	108.1545	7.734	2	109.0436	1.817	7	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	109.1360	0.000	2	109.1360	0.000	2	109.0436	1.817	7	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6,6]-4:C[4]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C){1|C<3>,1|C<4>,1|O<1>,2|N<3>,8|H<1>}	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	104.7760	0.000	1	104.7760	0.000	1	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	107.5470	0.000	1	107.5470	0.000	1	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	107.5850	0.000	1	107.0220	0.634	2	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	106.4590	0.000	1	107.0220	0.634	2	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	108.6047	0.249	3	109.2244	0.888	5	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.1540	0.741	2	109.2244	0.888	5	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.7520	0.382	2	107.9518	0.170	4	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	107.8310	0.000	1	107.9518	0.170	4	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	108.4720	0.000	1	107.9518	0.170	4	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	3:4:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,6|H<1>}	108.2190	0.000	1	108.2190	0.000	1	108.0368	1.903	14	108.4385	2.033	25	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:3:4:4:	3:4:3:	4:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:C-4:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	102.3490	0.000	1	102.3490	0.000	1	102.3490	0.000	1	102.3490	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	108.0990	0.000	1	108.0990	0.000	1	108.8428	1.817	10	108.8428	1.817	10	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.1530	0.000	1	108.1530	0.000	1	108.8428	1.817	10	108.8428	1.817	10	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	111.2185	0.088	2	111.2185	0.008	2	108.8428	1.817	10	108.8428	1.817	10	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	107.9407	0.377	3	107.8960	0.102	4	108.8428	1.817	10	108.8428	1.817	10	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	107.7620	0.000	1	107.8960	0.102	4	108.8428	1.817	10	108.8428	1.817	10	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	109.0775	0.149	2	109.0775	0.022	2	108.8428	1.817	10	108.8428	1.817	10	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:1:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:Cl-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl)	C[5a,6](C[6,6]C[5,6]N[6,6]Cl)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[5,6]Cl)(C[6,6]C[6]2H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]H)(Cl){3|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[6,6]C[5,6]N[6,6]Cl)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[5,6]Cl)(C[6,6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	105.5870	0.000	1	105.5870	0.000	1	105.5870	0.000	1	105.5870	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6,6]	C[5a,6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[5,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[6,6]C[5,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	109.2060	0.000	1	108.3654	2.870	45	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]HH)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	107.8210	0.000	1	109.2780	0.554	6	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6,6]	3:3:1:1:	3:4:2:	3:4:4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]N[6,6]HH)(S[5a]C[5a])	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]N[6,6]HH)(S[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	109.5860	0.307	2	109.5860	0.094	2	109.5860	0.094	2	109.5860	0.094	2	109.2780	0.554	6	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6,6]	3:3:1:1:	3:4:2:	4:4:4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6,6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6,6]HH)(S[5a]C[5a])	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6,6]HH)(S[5a]C[5a]){1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	109.2780	0.554	6	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C){2|C<3>,2|C<4>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	109.7025	0.056	2	109.7025	0.003	2	109.7025	0.003	2	109.7025	0.003	2	109.2780	0.554	6	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	109.4994	0.865	7	109.4994	0.748	7	109.4994	0.748	7	109.4994	0.748	7	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	111.7850	0.000	1	111.7850	0.000	1	111.7850	0.000	1	111.7850	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	110.9450	0.000	1	110.9450	0.000	1	110.2495	0.498	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<4>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH){2|C<3>,2|H<1>}	109.8990	0.000	1	109.8990	0.000	1	110.2495	0.498	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<4>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	110.0310	0.000	1	110.0310	0.000	1	110.2495	0.498	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	111.0270	0.000	1	110.1603	1.339	3	110.2495	0.498	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<4>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	109.7270	1.246	2	110.1603	1.339	3	110.2495	0.498	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	110.3200	0.341	2	110.3200	0.116	2	110.2495	0.498	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	108.5400	0.000	1	108.5400	0.000	1	108.3032	0.542	5	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	108.7890	0.000	1	108.7890	0.000	1	108.3032	0.542	5	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){4|C<3>}	107.3360	0.000	1	107.5435	0.086	2	108.3032	0.542	5	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){3|C<3>}	107.7510	0.000	1	107.5435	0.086	2	108.3032	0.542	5	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|S<4>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO){2|C<3>,2|H<1>}	109.1000	0.000	1	109.1000	0.000	1	108.3032	0.542	5	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	107.9830	0.000	1	107.9830	0.000	1	107.9830	0.000	1	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	107.3940	0.786	3	107.0215	0.967	4	107.0625	0.912	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	105.9040	0.000	1	107.0215	0.967	4	107.0625	0.912	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	105.9440	0.000	1	105.9440	0.000	1	107.0625	0.912	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH){1|C<4>,1|S<4>,3|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<3>}	108.5480	0.000	1	108.5480	0.000	1	107.0625	0.912	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,3|C<3>}	106.9610	0.027	2	106.9610	0.001	2	107.0625	0.912	8	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	111.8240	0.000	1	111.8240	0.000	1	111.8240	0.000	1	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	108.6795	2.773	24	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:4:2:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<2>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	107.5820	0.000	1	109.3350	1.568	4	109.3398	1.087	6	109.3398	1.087	6	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:4:2:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	109.9193	0.551	3	109.3350	1.568	4	109.3398	1.087	6	109.3398	1.087	6	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:4:2:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,2|H<1>}	109.9530	0.000	1	109.3495	0.728	2	109.3398	1.087	6	109.3398	1.087	6	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:1:	3:4:2:	4:4:4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,2|H<1>}	108.7460	0.000	1	109.3495	0.728	2	109.3398	1.087	6	109.3398	1.087	6	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:3:4:	4:3:2:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6a]-3:O[6]-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,6|C<3>}	103.8520	0.000	1	103.8520	0.000	1	103.8520	0.000	1	103.8520	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,4|C<3>}	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	107.9760	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	108.9485	0.094	2	108.9485	0.009	2	108.9485	0.009	2	108.9485	0.009	2	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	3:4:4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H){2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.4740	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	106.9850	0.000	1	108.1370	2.654	2	108.8090	4.737	5	108.8090	4.737	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	109.2890	0.000	1	108.1370	2.654	2	108.8090	4.737	5	108.8090	4.737	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	106.1170	0.000	1	109.2570	7.395	3	108.8090	4.737	5	108.8090	4.737	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	110.8270	0.000	2	109.2570	7.395	3	108.8090	4.737	5	108.8090	4.737	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	107.6960	0.157	2	107.6960	0.025	2	107.4733	0.161	3	108.2243	1.736	11	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	107.0280	0.000	1	107.0280	0.000	1	107.4733	0.161	3	108.2243	1.736	11	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	106.8900	0.000	1	106.8900	0.000	1	107.2117	0.124	4	108.2243	1.736	11	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO){1|N<3>,2|H<1>,3|C<3>}	107.2740	0.000	1	107.2740	0.000	1	107.2117	0.124	4	108.2243	1.736	11	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO){1|H<1>,1|N<3>,4|C<3>}	107.6820	0.000	1	107.6820	0.000	1	107.2117	0.124	4	108.2243	1.736	11	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.0010	0.000	1	107.0010	0.000	1	107.2117	0.124	4	108.2243	1.736	11	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.0200	0.000	1	109.0200	0.000	1	109.8000	0.314	4	108.2243	1.736	11	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|N<3>,2|H<1>,5|C<3>}	110.0600	0.257	3	110.0600	0.066	3	109.8000	0.314	4	108.2243	1.736	11	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:4:	3:4:3:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:C-4:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3){3|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)(C[5a]C[5a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	105.2320	0.000	1	105.2320	0.000	1	105.2320	0.000	1	105.2320	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:4:	3:4:3:	4:4:1:	C[5a,6]-3:C[5a]-3:N[6]-3:C-4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]C)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]H)(CF3){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:4:	3:4:3:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	108.0530	0.000	1	108.2910	0.113	2	108.0120	6.206	5	108.0120	6.206	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:4:	3:4:3:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	108.5290	0.000	1	108.2910	0.113	2	108.0120	6.206	5	108.0120	6.206	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:4:	3:4:3:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<3>,2|H<1>,3|C<3>}	109.8335	0.520	2	109.8335	0.270	2	108.0120	6.206	5	108.0120	6.206	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:3:4:	3:4:3:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	103.8110	0.000	1	103.8110	0.000	1	108.0120	6.206	5	108.0120	6.206	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH){1|Cl<1>,1|H<1>,4|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-3:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	107.0410	0.000	1	107.0410	0.000	1	107.3715	0.218	2	107.3715	0.218	2	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-3:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	107.7020	0.000	1	107.7020	0.000	1	107.3715	0.218	2	107.3715	0.218	2	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	111.1030	0.000	1	111.1030	0.000	1	110.8765	0.103	2	110.8765	0.103	2	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	110.6500	0.000	1	110.6500	0.000	1	110.8765	0.103	2	110.8765	0.103	2	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	109.9210	0.000	1	109.9210	0.000	1	108.8690	2.784	4	108.6522	2.323	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	106.3920	0.000	1	106.3920	0.000	1	108.8690	2.784	4	108.6522	2.323	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	109.7990	0.000	1	109.7990	0.000	1	108.8690	2.784	4	108.6522	2.323	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	109.3640	0.000	1	109.3640	0.000	1	108.8690	2.784	4	108.6522	2.323	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	108.6522	2.323	5	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:3:	3:3:4:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC)	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H){3|C<3>}	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	110.4680	0.275	2	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:3:	3:3:4:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.4680	0.275	2	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:3:	3:3:4:	4:4:3:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	107.1660	0.197	2	107.1660	0.039	2	107.1660	0.039	2	107.1660	0.039	2	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:4:	3:3:4:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCHH)(CF3){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:4:4:	3:3:4:	4:4:4:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CHHS)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO){1|C<3>,1|N<3>,2|H<1>}	105.8280	0.000	1	105.8280	0.000	1	105.8280	0.000	1	105.8280	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	856	6:SP3_SP2_SP3	C[6]	C[5a,6]	N[6]	3:4:3:1:	3:3:4:	4:3:4:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5]N[6]H)	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5]N[6]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	109.8220	0.000	1	108.6417	3.082	85	108.5128	2.688	163
466	727	863	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6]H)	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	115.4530	4.458	2	115.4530	4.458	2
466	727	863	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:O-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]HO)(N[5a]C[5a]S)	O(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O){1|H<1>,1|O<2>,1|S<4>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]HO)(N[5a]C[5a]S){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5a,6]C[5,6]H)	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	115.4530	4.458	2	115.4530	4.458	2
466	727	892	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:4:1:	3:3:4:	4:1:1:1:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN){1|C<3>,1|N<2>,1|O<1>,4|C<4>}	N(C[6]C[5a,6]C[6]H)(H)3	109.9100	1.031	2	109.9100	1.063	2	109.9100	1.063	2	109.9100	1.063	2	110.7500	1.727	4	110.7500	1.727	4
466	727	892	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	N(C[6]C[5a,6]C[6]H)(CCHH)(H)2	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	110.7500	1.727	4	110.7500	1.727	4
466	727	892	0:SP3_SP2_SP3	C[6]	C[5a,6]	N	3:4:4:1:	3:4:2:	4:4:4:1:	C[5a,6]-3:C[6,6]-4:N-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(C[6]C[5a,6]C[6,6]H)(CH3)2(H)	110.7850	0.000	1	110.7850	0.000	1	110.7850	0.000	1	110.7850	0.000	1	110.7500	1.727	4	110.7500	1.727	4
466	727	893	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:1:	3:3:4:	4:3:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HO)	O(C[6]C[5a,6]N[6]H)(CC[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]N[6]H)(CC[5]O)	107.0820	0.000	1	107.0820	0.000	1	107.0820	0.000	1	107.0820	0.000	1	107.1271	1.739	7	107.1271	1.739	7
466	727	893	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(CCO)	107.0560	0.000	1	107.0560	0.000	1	107.0560	0.000	1	106.4675	0.693	2	107.1271	1.739	7	107.1271	1.739	7
466	727	893	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	O(C[6]C[5a,6]C[6]H)(CCO)	105.8790	0.000	1	105.8790	0.000	1	105.8790	0.000	1	106.4675	0.693	2	107.1271	1.739	7	107.1271	1.739	7
466	727	893	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	3:4:2:1:	3:4:2:	4:3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a])	O(C[6]C[5a,6]C[6]H)(CCO)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a]){2|H<1>,4|C<4>}	O(C[6]C[5a,6]C[6]H)(CCO)	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	108.4945	4.053	2	107.1271	1.739	7	107.1271	1.739	7
466	727	893	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	3:4:2:1:	3:4:2:	4:3:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a])	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5a,6]C[6]H)(CC[6a]O)	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	108.4945	4.053	2	107.1271	1.739	7	107.1271	1.739	7
466	727	893	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	3:4:2:1:	3:4:3:	4:3:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C)	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]C[6,6]H)(CC[6a]O)	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	106.1800	0.000	1	107.1271	1.739	7	107.1271	1.739	7
466	727	893	0:SP3_SP2_SP2	C[6]	C[5a,6]	O	4:3:2:1:	3:4:3:	4:3:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C-3:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C)	O(C[6]C[5a,6]C[6,6]H)(CCO)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C){3|C<4>,3|H<1>}	O(C[6]C[5a,6]C[6,6]H)(CCO)	106.7040	0.000	1	106.7040	0.000	1	106.7040	0.000	1	106.7040	0.000	1	107.1271	1.739	7	107.1271	1.739	7
466	727	893	0:SP3_SP2_SP3	C[6,6]	C[5a,6,6]	O	3:3:4:2:	3:3:4:	4:1:	C[5a,6,6]-3:C[6]-3:C[6]-4:O-2:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:H-1:	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH)	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2O)	O(C[6,6]C[5a,6,6]C[6]2)(H)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6,6a]O)(C[6]C[6]CH)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O(C[6,6]C[5a,6,6]C[6]2)(H)	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	108.4270	0.000	1	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	O	3:4:4:2:	3:4:2:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a])	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(N[5a]N[5a]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	109.5820	7.638	4	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	O	3:4:4:2:	4:3:3:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6]-4:H-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|C<4>,2|N<2>,6|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	109.2355	4.361	2	109.0307	9.634	3	109.0307	9.634	3	109.0307	9.634	3	109.5820	7.638	4	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6,6]	C[5a,6]	O	3:4:4:2:	4:3:3:	4:1:	C[5a,6]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6]-4:H-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]O)(N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a]){3|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[5a,6]C[6,6]C[6])(H)	108.6210	0.000	1	109.0307	9.634	3	109.0307	9.634	3	109.0307	9.634	3	109.5820	7.638	4	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:2:2:1:	3:3:4:	4:4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]O[6]HO)	O(C[6]C[5a,6]O[6]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]O[6]HO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[5a,6]O[6]H)(CH3)	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:2:2:1:	3:4:2:	4:4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a])	O(C[6]C[5a,6]O[6]H)(CCCH)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]O[6]H)(CCCH)	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	107.6120	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:3:2:1:	3:3:4:	4:2:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	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)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HO)	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>}	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>}	O(C[6]C[5a,6]N[5,6]H)(OH)	105.6180	0.000	1	105.6180	0.000	1	105.6180	0.000	1	105.6180	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:3:2:1:	3:3:4:	4:4:	C[5a,6]-3:C[6]-3:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6]H)(CH3)	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:3:2:1:	3:4:2:	4:1:	C[5a,6]-3:N[5a,6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a])	O(C[6]C[5a,6]N[5a,6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5a,6]N[5a,6]H)(H)	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:3:2:2:	3:4:2:	4:4:	C[5a,6]-3:C[6]-3:O-2:O-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a])	O(C[6]C[5a,6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(OC)2{1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6]O)(CH3)	108.8983	3.247	4	108.8983	10.546	4	109.8360	8.615	6	109.8360	8.615	6	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:3:2:2:	3:4:2:	4:4:	C[5a,6]-3:C[6]-3:O-2:O-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a])	O(C[6]C[5a,6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O)(OC)2{1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a]){1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[5a,6]C[6]O)(CH3)	111.7115	0.943	2	111.7115	0.888	2	109.8360	8.615	6	109.8360	8.615	6	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:3:3:2:	3:4:3:	4:1:	C[5a,6]-3:C[6a]-3:C[6]-3:O-2:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C)	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]O)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6a]C[6])(H)	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:3:3:2:	4:3:3:	4:1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])	O(C[6]C[5a,6]C[6,6a]C[6a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a]){10|C<3>}	O(C[6]C[5a,6]C[6,6a]C[6a])(H)	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:3:4:2:	3:4:3:	4:1:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C)	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]O)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[5a,6]C[6a]C[6])(H)	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:2:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[5a,6]C[6]H)(H)	111.1794	2.039	5	111.1794	4.158	5	111.1794	4.158	5	111.1794	4.158	5	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[3x6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO)	O(C[6]C[5a,6]C[3x6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[3x6]H)(H)	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO)	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[5,6]H)(H)	109.1010	0.000	1	109.1010	0.000	1	110.8860	6.372	2	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[5,6]HO)	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[5,6]HO){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[5,6]H)(H)	112.6710	0.000	1	112.6710	0.000	1	110.8860	6.372	2	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO)	O(C[6]C[5a,6]C[6,6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6]H)(H)	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	110.4400	0.000	1	110.4400	0.000	1	113.3028	4.067	4	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6]H)(H)	113.8015	0.168	2	114.2570	0.636	3	113.3028	4.067	4	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6]H)(H)	115.1680	0.000	1	114.2570	0.636	3	113.3028	4.067	4	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	113.6770	0.000	1	113.6770	0.000	1	112.2517	1.985	3	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	112.2180	0.000	1	112.2180	0.000	1	112.2517	1.985	3	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	110.8600	0.000	1	110.8600	0.000	1	112.2517	1.985	3	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	O(C[6]C[5a,6]C[6]H)(H)	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HO){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	107.5270	0.000	1	107.5270	0.000	1	111.6283	18.618	3	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	111.2290	0.000	1	111.2290	0.000	1	111.6283	18.618	3	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	116.1290	0.000	1	116.1290	0.000	1	111.6283	18.618	3	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	111.2820	0.000	1	111.2820	0.000	1	110.1063	7.022	3	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	109.5185	3.460	2	109.5185	11.971	2	110.1063	7.022	3	111.4619	6.236	18	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:2:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]S)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]S)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[5a,6]C[6]H)(OH)	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HO)	O(C[6]C[5a,6]C[5,6]H)(CCHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HO){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	O(C[6]C[5a,6]C[5,6]H)(CCHH)	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	108.1000	2.348	4	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H){1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6]H)(CH3)	109.8900	0.000	1	109.8900	0.000	1	109.8900	0.000	1	108.1000	2.348	4	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6]H)(CC[6a]HH)	106.4550	0.000	1	106.4550	0.000	1	107.6160	2.696	2	108.1000	2.348	4	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:3:4:	4:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HO)	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6]H)(CH3)	108.7770	0.000	1	108.7770	0.000	1	107.6160	2.696	2	108.1000	2.348	4	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:4:2:	4:1:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HO)(O[5a]C[5a])	O(C[6]C[5a,6]C[5,6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HO)(O[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[5a,6]C[5,6]H)(H)	114.3342	0.576	4	114.3342	0.331	4	114.3342	0.331	4	112.8235	5.989	6	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:4:2:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a]){2|H<1>,4|C<4>}	O(C[6]C[5a,6]C[6]H)(H)	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	112.8235	5.989	6	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:4:2:	4:1:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HO)(O[5a]C[5a])	O(C[6]C[5a,6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HO)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5a,6]C[6]H)(H)	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	112.8235	5.989	6	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:2:1:	3:4:2:	4:4:	C[5a,6]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:C-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a])	O(C[6]C[5a,6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a]){3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6]H)(CH3)	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:3:2:	3:4:2:	4:1:	C[5a,6]-3:P[6]-4:C[6a]-3:O-2:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]O)(S[5a]C[5a])	O(C[6]C[5a,6]C[6a]P[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH){1|S<2>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]O)(S[5a]C[5a]){1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[5a,6]C[6a]P[6])(H)	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	109.8640	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:4:2:	3:3:4:	4:1:	C[5a,6]-3:C[6]-4:C-4:O-2:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO)	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CF3)(OH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[5a,6]C[6]C)(H)	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:4:2:	3:4:2:	4:1:	C[5a,6]-3:C[6]-4:C-4:O-2:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a])	O(C[6]C[5a,6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CH)(CCHH)(OH){1|C<4>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]CO)(N[5a]C[5a]){2|C<4>,2|F<1>,3|H<1>}	O(C[6]C[5a,6]C[6]C)(H)	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a,6]	O	3:4:4:2:	3:4:3:	4:1:	C[5a,6]-3:C[6,6]-4:C-4:O-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CO)(C[5a]C[5a]H)	O(C[6]C[5a,6]C[6,6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CO)(C[5a]C[5a]H){2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6,6]C)(H)	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	106.7490	0.000	1	110.4631	7.112	53	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:3:3:2:	4:3:2:	4:1:	C[6,6a]-3:C[5a]-3:C[6]-3:O-2:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH)	C[5a](C[6]C[6,6a]C[6]O)(C[5a]N[5a]H)(S[5a]C[5a])	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6,6a]C[6]O)(C[5a]N[5a]H)(S[5a]C[5a]){1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[5a]C[6])(H)	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:3:4:2:	3:4:2:	4:1:	C[5a]-3:C[6]-3:C[6]-4:O-2:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(S[5a]C[5a])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(C[6]C[6]CC)(OH){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5a]C[6]2)(H)	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:4:2:2:	4:2:2:	4:4:	C[5a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:N[5a]-2:S[5a]-2:	C[6]-4:C-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC)	C[5a](C[6]C[6]O[6]O)(N[5a]C[5a])(S[5a]C[5a])	O(C[6]C[5a]C[6]O[6])(CH3)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]CH)(O[6]C[6])(OC){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[6]C[6]O[6]O)(N[5a]C[5a])(S[5a]C[5a]){3|C<4>,3|H<1>}	O(C[6]C[5a]C[6]O[6])(CH3)	109.2810	0.462	2	109.2810	0.214	2	109.2810	0.214	2	109.2810	0.214	2	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:4:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C)	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[5a](C[6]C[6,6a]C[6]O)(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[5a]C[6])(H)	106.3935	0.545	4	106.3935	0.297	4	106.3935	0.297	4	106.3935	0.297	4	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:4:4:2:	3:2:4:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	N[5a]-3:N[5a]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2O)	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a]C[6]2)(H)	105.5380	0.000	1	105.5380	0.000	1	105.5380	0.000	1	105.5380	0.000	1	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:4:4:2:	3:3:4:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O)	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CC)(C[6]C[6]HO)(OH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2O){1|O<2>,1|S<4>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5a]C[6]2)(H)	108.6730	0.238	2	108.6730	0.056	2	108.6730	0.056	2	108.6730	0.056	2	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:4:4:2:	3:4:2:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH)	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a]C[6]2)(H)	110.3370	0.011	2	109.7142	0.451	6	109.7142	0.451	6	109.0908	1.093	10	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:4:4:2:	3:4:2:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH)	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[5a](C[5a]N[5a]H)(C[6]C[6]2O)(N[5a]N[5a]){3|C<4>,4|H<1>}	O(C[6]C[5a]C[6]2)(H)	109.4027	0.603	4	109.7142	0.451	6	109.7142	0.451	6	109.0908	1.093	10	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:4:4:2:	3:4:2:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[5a]C[6]2)(H)	108.7375	0.565	2	108.7375	0.319	2	108.1557	0.583	4	109.0908	1.093	10	108.4042	2.170	21	109.8454	6.439	79
466	727	893	0:SP3_SP2_SP3	C[6]	C[5a]	O	3:4:4:2:	3:4:2:	4:1:	C[5a]-3:C[6]-4:C[6]-4:O-2:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH)	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a])	O(C[6]C[5a]C[6]2)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(OH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a]C[6]2)(H)	107.5740	0.277	2	107.5740	0.077	2	108.1557	0.583	4	109.0908	1.093	10	108.4042	2.170	21	109.8454	6.439	79
466	727	909	0:SP3_SP2_SP2	C[6]	C[5a,6]	S	3:3:2:2:	3:3:4:	4:2:	C[5a,6]-3:N[6]-3:C-2:S-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:S-2:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS)	S(C[6]C[5a,6]N[6]C)(SS)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS){1|C<2>,1|C<3>,1|C<4>,2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]N[6]CS){1|C<4>,2|C<3>}	S(C[6]C[5a,6]N[6]C)(SS)	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1
466	727	914	6:SP3_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:4:4:2:	3:4:2:	4:3:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-2:	N[5a,6]-3:C[6,6]-4:N[5a]-2:	C[6,6]-4:C[6]-3:	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6])	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a])	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|N<2>,4|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6,6]C[6]2N[6])(N[5a]N[5a]){1|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O){1|N<2>,1|N<3>,4|C<4>,4|H<1>}	108.0660	0.000	1	108.0660	0.000	1	108.0660	0.000	1	108.0660	0.000	1	108.0660	0.000	1	109.3325	3.208	2
466	727	914	6:SP3_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:1:	3:4:3:	4:4:	C[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,5|C<3>}	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	110.5990	0.000	1	109.3325	3.208	2
466	727	930	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C	3:3:4:3:	3:4:3:	4:2:1:	C[5a,6]-3:C[6,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C)	C(C[6,6]C[5a,6]C[6,6]C[6])(OC)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]O)(C[6]C[6]HH)(COO){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C(C[6,6]C[5a,6]C[6,6]C[6])(OC)(O)	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	115.7190	0.000	1	114.8000	1.689	2	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6,6]	C[5a,6]	C	3:4:4:3:	3:4:3:	4:2:1:	C[5a,6]-3:C[3x6]-4:C[6]-4:C-3:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C)	C(C[6,6]C[5a,6]C[3x6]C[6])(OC)(O)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(COO){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]C)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[5a,6]C[3x6]C[6])(OC)(O)	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	114.8000	1.689	2	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6,6]	C[5a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	C[6,6](C[3x6]C[3x6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<4>,4|C<3>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	110.0550	0.000	1	110.0550	0.000	1	107.3141	4.555	8	107.3141	4.555	8	107.3141	4.555	8	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6,6]	C[5a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,3|H<1>,5|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	105.4863	0.743	3	106.9226	3.884	7	107.3141	4.555	8	107.3141	4.555	8	107.3141	4.555	8	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6,6]	C[5a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,4|H<1>,5|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	105.0870	0.000	1	106.9226	3.884	7	107.3141	4.555	8	107.3141	4.555	8	107.3141	4.555	8	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6,6]	C[5a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|H<1>,3|C<3>,4|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	108.9070	0.000	1	106.9226	3.884	7	107.3141	4.555	8	107.3141	4.555	8	107.3141	4.555	8	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6,6]	C[5a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C[5a])(OC)(O)	109.0025	0.224	2	106.9226	3.884	7	107.3141	4.555	8	107.3141	4.555	8	107.3141	4.555	8	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	C(C[6]C[5a,6]N[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(OC)(O)	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH)	C(C[6]C[5a,6]2H)(CCC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,2|N<2>,5|C<3>}	C(C[6]C[5a,6]2H)(CCC)(H)	109.5790	0.925	2	109.5790	0.855	2	109.5790	0.855	2	111.5426	4.667	9	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH)	C(C[6]C[5a,6]2H)(CCC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH){1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[5a,6]2H)(CCC)(H)	109.8340	0.455	2	109.8340	0.207	2	109.8340	0.207	2	111.5426	4.667	9	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	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)	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(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>}	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>}	C(C[6]C[5a,6]N[5,6]H)(NCH)(O)	112.0510	0.074	2	112.0510	0.005	2	112.0510	0.005	2	111.5426	4.667	9	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|O<1>,3|C<3>}	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	113.4220	0.000	1	113.4220	0.000	1	112.5470	1.531	2	111.5426	4.667	9	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]CH)	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,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]N[6,6]CH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	111.6720	0.000	1	111.6720	0.000	1	112.5470	1.531	2	111.5426	4.667	9	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH)	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	115.8610	0.000	1	115.8610	0.000	1	115.8610	0.000	1	111.5426	4.667	9	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:1:	3:4:3:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C-3:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C)	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C){3|C<3>}	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:3:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-3:C-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(COO)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(COO)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CC){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]C)(OC)(O)	110.1140	0.990	2	110.1140	0.980	2	110.1140	0.980	2	110.9987	2.838	3	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:3:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-3:C-3:N-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN)	C(C[6]C[5a,6]C[6]N)(OC)(O)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C(C[6]C[5a,6]C[6]N)(OC)(O)	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	110.9987	2.838	3	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(OC)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)(COO){1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CC){1|C<2>,2|C<3>}	C(C[6]C[5a,6]C[6]C)(OC)(O)	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	107.8626	2.856	7	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:2:1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<2>,5|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	108.8790	0.000	1	107.3122	1.395	5	107.3122	1.395	5	107.8626	2.856	7	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:2:1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C){1|N<3>,5|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	106.9205	0.915	4	107.3122	1.395	5	107.3122	1.395	5	107.8626	2.856	7	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:2:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C(C[6]C[5a,6]N[6]C)(OC)(O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO){5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){3|H<1>,4|C<3>}	C(C[6]C[5a,6]N[6]C)(OC)(O)	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	107.8626	2.856	7	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:3:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC)	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	110.7290	0.000	1	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:4:1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CC){2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]C)(CH3)(H)	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	107.5346	8.736	5	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C(C[6]C[5a,6]N[6]C)(CCCH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(CCCH)(O)	104.9430	0.000	1	104.9430	0.000	1	107.6360	11.579	4	107.5346	8.736	5	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	106.4905	0.141	2	106.4905	0.020	2	107.6360	11.579	4	107.5346	8.736	5	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:3:4:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC)	C(C[6]C[5a,6]N[6]C)(CH3)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CC){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6]C)(CH3)(O)	112.6200	0.000	1	112.6200	0.000	1	107.6360	11.579	4	107.5346	8.736	5	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:4:2:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:C-3:O-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]C)(O[5a]C[5a])	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]C)(O[5a]C[5a]){1|N<3>,2|C<3>,6|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:4:3:	4:2:1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]C)(N[5a]C[5a,6a]H)	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	106.5640	0.485	2	106.5640	0.235	2	106.5640	0.235	2	106.5640	0.235	2	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:3:4:3:	3:4:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:C-3:O-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]C)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	108.9095	0.753	2	108.9095	0.567	2	108.9095	0.567	2	108.9095	0.567	2	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH)	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	109.0710	0.430	2	109.0710	0.185	2	109.0710	0.185	2	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	C(C[6]C[5a,6]C[6,6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(OC)(O)	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	C(C[6]C[5a,6]C[6,6]H)(OC)(O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5a,6]C[6,6]H)(OC)(O)	108.8005	0.456	2	108.8005	0.208	2	108.8005	0.208	2	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H){1|C<2>,1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	109.2095	1.545	2	109.2095	2.387	2	109.2249	2.012	8	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	108.7050	0.302	3	108.7050	0.091	3	109.2249	2.012	8	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,5|H<1>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	111.5430	0.000	1	111.5430	0.000	1	109.2249	2.012	8	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	110.4520	0.000	1	108.8610	5.063	2	109.2249	2.012	8	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	107.2700	0.000	1	108.8610	5.063	2	109.2249	2.012	8	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	108.8580	0.000	1	108.8580	0.000	1	110.9523	8.698	9	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	112.7115	1.930	2	112.7115	3.724	2	110.9523	8.698	9	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	109.3220	0.000	1	109.3220	0.000	1	110.9523	8.698	9	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){4|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	108.9200	0.000	1	108.9200	0.000	1	110.9523	8.698	9	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	117.4610	0.000	1	117.4610	0.000	1	110.9523	8.698	9	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	109.5900	0.177	2	109.5290	0.027	3	110.9523	8.698	9	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	109.4070	0.000	1	109.5290	0.027	3	110.9523	8.698	9	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(OC)(O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[5a,6]C[6]H)(OC)(O)	108.7480	0.075	2	108.7480	0.006	2	108.7480	0.006	2	109.9267	4.595	25	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6]H)(CHH)(H)	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	110.7444	1.767	5	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6]H)(CHH)(H)	112.0730	0.000	1	111.7435	0.217	2	110.7627	2.354	4	110.7444	1.767	5	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6]H)(CHH)(H)	111.4140	0.000	1	111.7435	0.217	2	110.7627	2.354	4	110.7444	1.767	5	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	109.7820	1.731	2	109.7820	2.996	2	110.7627	2.354	4	110.7444	1.767	5	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:3:4:	4:4:3:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C(C[6]C[5a,6]C[6]H)(CH3)(CHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6]H)(CH3)(CHH)	115.0070	0.000	1	115.0070	0.000	1	115.0070	0.000	1	115.0070	0.000	1	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:4:3:	4:2:1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H)	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	107.4560	0.000	1	107.4560	0.000	1	109.7243	3.175	4	108.8433	3.805	6	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:4:3:	4:2:1:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H)	C(C[6]C[5a,6]C[5,6]H)(OH)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	C(C[6]C[5a,6]C[5,6]H)(OH)(O)	110.4803	1.155	3	110.4803	1.333	3	109.7243	3.175	4	108.8433	3.805	6	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:4:3:	4:2:1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C(C[6]C[5a,6]C[6,6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(OC)(O)	107.3870	0.000	1	107.3870	0.000	1	107.0815	0.187	2	108.8433	3.805	6	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:4:3:	4:2:1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C(C[6]C[5a,6]C[6,6]H)(OH)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(OH)(O)	106.7760	0.000	1	106.7760	0.000	1	107.0815	0.187	2	108.8433	3.805	6	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:1:	3:4:3:	4:3:1:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:N-3:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	C(C[6]C[5a,6]C[6,6]H)(NC[6]H)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(NC[6]H)(O)	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	107.1720	0.000	1	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:3:	3:3:4:	4:2:1:	C[5a,6]-3:C[6,6]-4:C-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(COO)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]CC)	C(C[6]C[5a,6]C[6,6]C)(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(COO)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6,6]C)(OC)(O)	109.4455	2.091	2	109.4455	4.372	2	109.4455	4.372	2	110.8098	5.612	4	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:3:	3:3:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CC){2|C<3>,3|H<1>,4|C<4>}	C(C[6]C[5a,6]C[6]C)(OC)(O)	112.1740	2.240	2	112.1740	5.018	2	112.1740	5.018	2	110.8098	5.612	4	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:4:3:	3:2:4:	4:2:1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(OC)(O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CH3)(COO){4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6]C)(OC)(O)	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	3:4:4:3:	3:3:4:	4:3:1:	C[5a,6]-3:C[6]-4:C-4:C-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC)	C(C[6]C[5a,6]C[6]C)(CHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]CC){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6]C)(CHH)(H)	110.7255	0.531	2	110.7255	0.282	2	110.7255	0.282	2	110.7255	0.282	2	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	4:3:3:1:	3:3:4:	4:2:1:	C[5,6]-4:C[5a,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]CH)	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]CH){1|C<4>,1|H<1>,5|C<3>}	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	112.5835	1.053	2	112.5835	1.109	2	112.5835	1.109	2	112.5835	1.109	2	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a,6]	C	4:3:3:1:	3:4:2:	4:2:1:	C[5,6]-4:C[5a,6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]O[5a])(COO)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(O[5a]C[5a])	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]O[5a])(COO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[5a,6]C[5,6]H)(OC)(O)	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	109.9162	5.662	80	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a]	C	3:3:2:3:	4:3:2:	4:3:1:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	C[5a](C[6]C[6,6a]O[6]C)(C[5a]C[5a]H)(S[5a]C[5a])	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	C[5a](C[6]C[6,6a]O[6]C)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.5331	5.879	10	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a]	C	3:3:3:3:	3:4:3:	4:2:1:	C[5a]-3:N[6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H)	C(C[6]C[5a]C[6]N[6])(OC)(O)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]C)(C[5a]N[5a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5a]C[6]N[6])(OC)(O)	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	110.5331	5.879	10	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[5a]-3:N[6]-3:C-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO)	C[5a](C[6]C[6,6a]N[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C(C[6]C[6,6a]C[5a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]N[6]C)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,5|C<3>}	C(C[6]C[6,6a]C[5a]N[6])(OC)(O)	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	110.5331	5.879	10	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[5a]-3:C[6]-4:C[6]-3:C-3:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C)	C(C[6]C[5a]C[6]2)(OC)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(COO){2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[5a]C[6]2)(OC)(O)	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	110.5331	5.879	10	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6]C[6,6]C[5a]C[6])(OC)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[5a]C[6])(OC)(O)	109.5166	2.144	5	109.2713	4.038	6	109.2713	4.038	6	109.2713	4.038	6	110.5331	5.879	10	109.8674	6.457	100
466	727	930	0:SP3_SP2_SP2	C[6]	C[5a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[6,6]-4:C[5a]-3:C[6]-4:C-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO)	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6]C[6,6]C[5a]C[6])(OC)(O)	C[6](C[6,6]C[6,6]N[6]H)(C[5a]C[5a]N[5a])(C[6]C[6]HH)(COO){3|C<4>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6]C[6]C)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[5a]C[6])(OC)(O)	108.0450	0.000	1	109.2713	4.038	6	109.2713	4.038	6	109.2713	4.038	6	110.5331	5.879	10	109.8674	6.457	100
466	727	941	0:SP3_SP2_SP2	C[6]	C[5a,6]	N	3:4:2:1:	3:3:4:	4:3:	C[5a,6]-3:C[6,6]-4:N-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:S-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN)	N(C[6]C[5a,6]C[6,6]H)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N(C[6]C[5a,6]C[6,6]H)(SCO)	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:3:3:1:	3:4:2:	4:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:N[5a]-2:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5a,6,6](C[5a,6,6]C[3x6]N[5a])(C[3x6]C[6,6,6a]2H)(N[5a]N[5a])	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]N[5a])(C[3x6]C[6,6,6a]2H)(N[5a]N[5a]){1|H<1>,5|C<3>}	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	114.2494	0.175	10	114.2494	0.031	10	114.2494	0.031	10	114.2494	0.031	10	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6,6]-3:C[5a,6,6]-3:C[5a,6,6]-3:H-1:	N[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]N[5a,6,6]C[5a])3(H)	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H)	H(C[3x6]C[5a,6,6]3)	C[3x6](C[5a,6,6]N[5a,6,6]C[5a])3(H){1|P<3>,3|H<1>,6|C<3>}	C[5a,6,6](N[5a,6,6]P[3x6]C[5a])(C[3x6]C[5a,6,6]2H)(C[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	H(C[3x6]C[5a,6,6]3)	112.3707	2.185	3	112.3707	4.773	3	112.3707	4.773	3	113.4786	1.118	14	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C)	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C){1|Ni<4>,1|H<1>,5|C<3>}	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	113.8912	0.265	4	113.7807	0.030	11	113.7807	0.030	11	113.4786	1.118	14	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C)	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6,6a]2H)(C[5a]N[5a]C){1|Zn<4>,1|H<1>,5|C<3>}	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	113.7176	0.044	7	113.7807	0.030	11	113.7807	0.030	11	113.4786	1.118	14	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6,6]-3:C[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H)	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6])	H(C[3x6]C[5a,6,6]2C[6,6])	C[3x6](C[5a,6,6]C[5a,6,6]C[5a,6])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[5a,6,6]2C[6,6])	113.8065	0.035	2	113.8065	0.001	2	113.8065	0.001	2	113.6767	0.023	4	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6,6]-3:C[5a,6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6,6]-3:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H)	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C)	H(C[3x6]C[5a,6,6]2C[6,6])	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])2(C[6,6]C[6,6]HH)(H){2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[5a,6]C[3x6])(C[5a]N[5a,6]C){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[5a,6,6]2C[6,6])	113.5470	0.008	2	113.5470	0.000	2	113.5470	0.000	2	113.6767	0.023	4	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	112.6860	0.071	2	112.6860	0.005	2	112.9575	0.287	20	112.9575	0.287	20	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]H)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	112.6760	0.041	2	112.6760	0.002	2	112.9575	0.287	20	112.9575	0.287	20	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|C<4>,2|C<3>,5|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	113.1150	0.414	8	113.0267	0.337	16	112.9575	0.287	20	112.9575	0.287	20	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C){1|Ni<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	112.9384	0.730	8	113.0267	0.337	16	112.9575	0.287	20	112.9575	0.287	20	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[5,6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	C[5a,6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[5a,6,6]C[5,6,6]N[6,6])	107.3350	0.375	2	107.3350	0.140	2	107.3350	0.140	2	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|N<3>,2|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	108.3450	0.000	1	107.4652	0.124	15	107.4652	0.124	15	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.4778	0.197	5	107.4652	0.124	15	107.4652	0.124	15	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.7830	0.000	1	107.4652	0.124	15	107.4652	0.124	15	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.4570	0.000	1	107.4652	0.124	15	107.4652	0.124	15	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,5|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.0195	0.086	2	107.4652	0.124	15	107.4652	0.124	15	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,7|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.1690	0.007	2	107.4652	0.124	15	107.4652	0.124	15	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.3370	0.000	1	107.4652	0.124	15	107.4652	0.124	15	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.6450	0.195	2	107.4652	0.124	15	107.4652	0.124	15	107.4499	0.119	17	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6,6]-3:C[5a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[5a]C[5a]S[5a])(C[3x6]C[6,6]2H)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[5a]C[5a]S[5a])(C[3x6]C[6,6]2H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	111.5025	0.012	2	111.5025	0.000	2	111.5025	0.000	2	111.5025	0.000	2	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:4:1:	3:4:2:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6,6]-3:C[3x6]-4:S[5a]-2:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]S[5a])(C[6,6]C[6,6]HH)2(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(S[5a]C[5a])	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]S[5a])(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(S[5a]C[5a]){1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	111.7760	0.000	1	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]S[5a]Br)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]S[5a]Br){1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	111.5945	0.226	2	111.5945	0.051	2	111.4960	0.055	3	111.4960	0.055	3	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H)	C[5a,6,6](C[5a,6,6]C[3x6]S[5a])(C[3x6]C[6,6]2H)(C[5a]C[5a]H)	H(C[3x6]C[5a,6,6]C[6,6]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]S[5a])(C[3x6]C[6,6]2H)(C[5a]C[5a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]2)	111.2990	0.000	1	111.2990	0.000	1	111.4960	0.055	3	111.4960	0.055	3	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6,6]	H	3:4:4:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a,6]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	C[5a,6,6](C[3x6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	108.3380	0.000	1	111.7959	6.997	72	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.2680	0.000	1	109.1743	0.009	3	109.0553	0.150	8	109.0553	0.150	8	109.0553	0.150	8	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.1275	0.063	2	109.1743	0.009	3	109.0553	0.150	8	109.0553	0.150	8	109.0553	0.150	8	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.6470	0.000	1	108.9838	0.241	5	109.0553	0.150	8	109.0553	0.150	8	109.0553	0.150	8	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.3410	0.000	1	108.9838	0.241	5	109.0553	0.150	8	109.0553	0.150	8	109.0553	0.150	8	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.4890	0.000	1	108.9838	0.241	5	109.0553	0.150	8	109.0553	0.150	8	109.0553	0.150	8	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.6330	0.000	1	108.9838	0.241	5	109.0553	0.150	8	109.0553	0.150	8	109.0553	0.150	8	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[3x6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.8090	0.000	1	108.9838	0.241	5	109.0553	0.150	8	109.0553	0.150	8	109.0553	0.150	8	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[4x6]	C[5a,6,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6,6]-3:C[4x6]-4:C[3x6]-4:H-1:	C[5a,6,6]-3:C[4x6]-4:N[5a]-3:	C[4x6]-4:	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H)	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C)	H(C[4x6]C[5a,6,6]C[3x6]C[4x6])	C[4x6](C[5a,6,6]C[5a,6,6]N[5a])(C[4x6]C[3x6]C[6,6]C)(C[3x6]C[4x6]CH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[5a,6a]C[4x6])(C[4x6]C[3x6]C[4x6]H)(N[5a]C[5a,6a]C){1|H<1>,3|C<3>,5|C<4>}	H(C[4x6]C[5a,6,6]C[3x6]C[4x6])	112.7940	0.000	1	112.7940	0.000	1	112.7940	0.000	1	112.7940	0.000	1	112.7940	0.000	1	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6,6]	H	3:2:4:1:	3:3:4:	4:	C[5a,6,6]-3:O[6]-2:C[6]-4:H-1:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]O[6]H)	H(C[6,6]C[5a,6,6]C[6]O[6])	C[6,6](C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6,6](C[5a,6]C[6,6a]N[5a])(C[5a,6]O[5a]C[6])(C[6,6]C[6]O[6]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6,6]C[6]O[6])	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	110.1400	0.000	1	109.0024	0.669	7	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6,6]	H	3:3:4:1:	4:3:3:	4:	N[5a,6]-3:C[5a,6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6]-4:	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[5a,6,6](C[6,6]N[5a,6]C[6]H)(C[5a,6]C[5a]C[6])(C[5a,6]S[5a]C[6])	H(C[6,6]C[5a,6,6]N[5a,6]C[6])	C[6,6](N[5a,6]N[5a,6]C[5a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6,6](C[6,6]N[5a,6]C[6]H)(C[5a,6]C[5a]C[6])(C[5a,6]S[5a]C[6]){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[5a,6,6]N[5a,6]C[6])	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	109.0024	0.669	7	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H)	H(C[6,6]C[5a,6,6]C[6]N[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6,6](C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])(C[6,6]C[6]N[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5a,6,6]C[6]N[6])	109.0510	0.000	1	109.0510	0.000	1	109.3350	0.161	2	109.3350	0.161	2	109.0024	0.669	7	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H)	H(C[6,6]C[5a,6,6]C[6]N[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]N[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6,6]C[6]N[6])	109.6190	0.000	1	109.6190	0.000	1	109.3350	0.161	2	109.3350	0.161	2	109.0024	0.669	7	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6,6]-3:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H)	H(C[6,6]C[5a,6,6]C[6]2)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]C[6])(C[6,6]C[6]2H){1|C<4>,5|C<3>,5|H<1>}	H(C[6,6]C[5a,6,6]C[6]2)	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	109.0024	0.669	7	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6,6]	H	4:3:2:1:	3:3:4:	4:	C[5,6]-4:C[5a,6,6]-3:O[6]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(H)	C[5a,6,6](C[5a,6]C[6,6a]O[5a])(C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]O[6]H)	H(C[6,6]C[5a,6,6]C[5,6]O[6])	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,7|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]O[5a])(C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]O[6]H){1|O<2>,7|C<3>}	H(C[6,6]C[5a,6,6]C[5,6]O[6])	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	109.3630	0.000	1	109.0024	0.669	7	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5a,6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H)	C[5a,6,6](C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[5a,6]O[5a]C[6])	H(C[6,6]C[5a,6,6]C[5,6]C[6])	C[6,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6,6](C[5a,6]C[5,6]C[5a])(C[6,6]C[5,6]C[6]H)(C[5a,6]O[5a]C[6]){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6,6]C[5a,6,6]C[5,6]C[6])	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	109.0024	0.669	7	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-3:S[6]-2:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[6,6]C[6,6]S[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]C[6,6]S[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]N[6])(S[6]C[6,6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[6,6]C[6,6]S[6]H)(N[5a]C[5a,6a]H){1|N<3>,6|C<3>}	H(C[6,6]C[5a,6]C[6,6]S[6])	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5a,6]C[6,6]N[6])	112.5850	0.000	1	112.5850	0.000	1	112.5850	0.000	1	109.4380	7.456	3	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:N[5a,6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a])	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	109.4380	7.456	3	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5a,6]N[6,6]N[6])	108.0340	0.000	1	108.0340	0.000	1	108.0340	0.000	1	109.4380	7.456	3	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){4|C<3>,4|C<4>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.0165	0.073	2	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	C[5a,6](C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	107.0165	0.073	2	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6]2)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,3|H<1>,5|C<4>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6,6]C[6,6]2H)(C[5a]N[5a]C){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5a,6]C[6,6]2)	106.6630	0.000	1	106.6630	0.000	1	106.6630	0.000	1	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.1060	0.147	2	108.5783	0.846	3	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.5230	0.000	1	108.5783	0.846	3	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.2420	0.324	2	109.3313	0.076	3	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.5100	0.000	1	109.3313	0.076	3	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.3120	0.000	2	109.6480	0.696	4	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.9840	0.570	2	109.6480	0.696	4	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.7960	0.000	1	109.7960	0.000	1	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.0440	0.000	1	110.0440	0.000	1	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.5310	0.000	1	107.5310	0.000	1	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.9980	0.000	1	107.0692	0.607	5	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.6695	0.467	2	107.0692	0.607	5	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.2910	0.000	1	107.0692	0.607	5	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.7180	0.000	1	107.0692	0.607	5	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.4060	0.000	1	108.9350	0.560	2	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.4640	0.000	1	108.9350	0.560	2	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.9710	0.000	1	109.6103	0.881	4	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.2700	0.000	1	109.6103	0.881	4	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.4440	0.000	1	109.6103	0.881	4	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.7560	0.000	1	109.6103	0.881	4	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.4515	0.370	2	108.7116	2.535	14	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,7|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.1480	0.017	2	108.7116	2.535	14	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	111.7670	2.821	2	108.7116	2.535	14	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.2940	0.000	1	108.7116	2.535	14	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.0593	0.636	4	108.7116	2.535	14	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.8225	0.194	2	108.7116	2.535	14	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.0540	0.000	1	108.7116	2.535	14	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.3810	0.000	1	109.3810	0.000	1	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.9245	0.486	2	107.9245	0.236	2	108.7449	1.757	41	108.6954	1.817	42	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:2:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a]){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	111.1000	0.000	1	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|H<1>,1|N<2>,1|N<3>,2|O<2>,4|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.2900	0.000	1	111.2495	0.003	2	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.2090	0.000	1	111.2495	0.003	2	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){2|C<4>,6|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.4740	0.000	1	108.0665	0.332	2	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a]){1|C<2>,2|C<4>,5|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	107.6590	0.000	1	108.0665	0.332	2	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,2|C<4>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.5320	0.170	2	109.1192	1.013	6	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.4870	0.055	2	109.1192	1.013	6	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|C<4>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	110.8730	0.000	1	109.1192	1.013	6	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){2|C<4>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	109.8040	0.000	1	109.1192	1.013	6	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H)	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[5a,6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a]S[6])(C[5a]N[5a]C){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	107.9770	0.000	1	107.9770	0.000	1	109.2113	1.791	11	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H)	C[5a,6](C[6,6]N[5a,6]C[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[5a,6]C[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[6,6]N[5a,6]C[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[5a,6]N[5a,6]C[6,6])	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:N[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[5a,6](C[6,6]N[6,6]C[6]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	109.2386	1.803	14	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:2:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5a,6]C[6,6]O[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]O[6])	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:2:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	H(C[6,6]C[5a,6]C[6,6]O[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6](C[6,6]C[6,6]O[6]H)(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]O[6])	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[3x6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H)	H(C[6,6]C[5a,6]C[3x6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)(C[6]O[6]O)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6]C[3x6]C[6])	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	109.2130	1.374	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H)	H(C[6,6]C[5a,6]C[3x6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6,6]C[3x6]N[6]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[5a,6]C[3x6]N[6])	110.4150	0.526	2	110.4150	0.277	2	110.4150	0.277	2	109.2130	1.374	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|C<4>,2|S<2>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.5170	0.000	1	109.0017	0.219	3	109.0017	0.219	3	109.2130	1.374	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6,6]C[6,6]N[6]H){2|S<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	108.7440	0.201	2	109.0017	0.219	3	109.0017	0.219	3	109.2130	1.374	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]S)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]S){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.1090	0.000	1	108.1090	0.000	1	108.1090	0.000	1	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.1990	0.000	1	109.1990	0.000	1	110.0598	1.136	5	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]C){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.2730	0.000	1	109.2730	0.000	1	110.0598	1.136	5	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	111.8390	0.000	1	111.8390	0.000	1	110.0598	1.136	5	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]H){1|S<4>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	110.0700	0.000	1	110.0700	0.000	1	110.0598	1.136	5	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|S<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.9180	0.000	1	109.9180	0.000	1	110.0598	1.136	5	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	110.3790	1.150	2	110.3790	1.322	2	109.4180	1.389	5	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.1840	0.000	1	109.1840	0.000	1	109.4180	1.389	5	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]N[5a]C[6]){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	108.5740	0.952	2	108.5740	0.906	2	109.4180	1.389	5	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.2435	0.411	2	109.3313	0.108	3	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.5070	0.000	1	109.3313	0.108	3	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.4140	0.000	1	109.8160	0.323	2	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]C){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.2180	0.000	1	109.8160	0.323	2	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.3627	0.028	3	107.9266	0.267	7	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.8930	0.000	1	107.9266	0.267	7	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.9670	0.000	1	107.9266	0.267	7	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.2690	0.403	2	107.9266	0.267	7	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]S){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.0780	0.352	2	107.0780	0.124	2	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.5570	0.000	1	109.5570	0.000	1	108.4550	1.088	15	108.9355	1.479	26	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H)	C[5a,6](C[6,6]C[3x6]N[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	H(C[6,6]C[5a,6]C[3x6]N[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[6,6]C[3x6]N[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]C[3x6]N[6])	109.2020	0.000	1	109.2020	0.000	1	109.2020	0.000	1	107.6927	0.926	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H)	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[5,6,6]C[5,6]2H)(C[6]O[6]O)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	107.6927	0.926	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[5,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]C[5,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[6,6]C[5,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[5,6]N[6,6])	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	107.6927	0.926	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]C[6,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6,6])	106.9550	0.000	1	106.9020	0.052	3	106.9020	0.052	3	107.6927	0.926	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]C[6,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5a,6](C[6,6]C[6,6]N[6,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6,6])	106.8755	0.316	2	106.9020	0.052	3	106.9020	0.052	3	107.6927	0.926	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:2:	4:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:O[5a]-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(O[5a]C[5a,6a])	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(O[5a]C[5a,6a]){2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.5530	0.242	6	107.5530	0.059	6	107.5530	0.059	6	107.5530	0.059	6	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[3x6]-4:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]C[3x6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[3x6]C[3x6]C[6]H)(C[6]O[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[6,6]C[3x6]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6]C[3x6]C[6])	110.2260	0.000	1	110.2260	0.000	1	110.2260	0.000	1	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5a,6]C[6,6]C[6])	108.4090	0.000	1	108.4090	0.000	1	107.8683	0.250	3	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|H<1>,6|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.5980	0.247	2	107.5980	0.061	2	107.8683	0.250	3	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6]C[5a,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.3243	0.302	4	109.3243	0.091	4	109.3243	0.091	4	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){3|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.4220	0.000	1	109.4220	0.000	1	108.0573	1.397	3	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	107.3750	0.034	2	107.3750	0.001	2	108.0573	1.397	3	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]CH)(C[6]O[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	109.2810	0.000	1	109.2810	0.000	1	109.2810	0.000	1	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.0360	0.062	2	108.0360	0.004	2	107.9187	0.043	3	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.6840	0.000	1	107.6840	0.000	1	107.9187	0.043	3	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.4840	0.342	2	108.4840	0.117	2	108.4840	0.117	2	108.5474	0.802	17	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	4:3:2:	4:	C[5a,6]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a]C[6])(S[5a]C[5a])	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	3:4:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	H(C[6,6]C[5a,6]C[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5a,6](C[6,6]C[6,6]C[6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){4|C<4>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]C[6])	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	107.2960	0.000	1	107.3580	0.008	2	107.3580	0.008	2	107.3580	0.008	2	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	4:3:4:1:	3:4:3:	4:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6])	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	107.4200	0.000	1	107.3580	0.008	2	107.3580	0.008	2	107.3580	0.008	2	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[5a,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	H(C[6,6]C[5,6,6]C[5a,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|N<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[5a,6]C[6])	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	108.6658	1.694	132	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	3:3:4:1:	4:3:3:	4:	C[3x6]-3:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6])(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	3:4:4:1:	3:4:3:	4:	C[5a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a]-3:	C[6,6]-4:	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[5a]C[5a,6a]C[5a])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[3x6]C[6,6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,5,6,6]-4:C[5a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[5a]-3:O[5a]-2:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H)	C[5a](C[6,6]C[5,5,6,6]N[6,6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6,6]C[5,5,6,6]N[6,6]C[5a])	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H){1|H<1>,1|W<6>,4|C<3>,4|C<4>}	C[5a](C[6,6]C[5,5,6,6]N[6,6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|P<4>,2|H<1>,4|C<4>}	H(C[6,6]C[5,5,6,6]N[6,6]C[5a])	105.5460	0.000	1	105.5460	0.000	1	105.5460	0.000	1	105.5460	0.000	1	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,2|H<1>,6|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.9150	0.733	3	107.9150	0.537	3	107.6969	0.547	9	107.6969	0.547	9	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|C<2>,2|C<3>,3|H<1>,4|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.8880	0.051	2	107.4274	0.579	5	107.6969	0.547	9	107.6969	0.547	9	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	106.2790	0.000	1	107.4274	0.579	5	107.6969	0.547	9	107.6969	0.547	9	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	107.0190	0.000	1	107.4274	0.579	5	107.6969	0.547	9	107.6969	0.547	9	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	108.0630	0.000	1	107.4274	0.579	5	107.6969	0.547	9	107.6969	0.547	9	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6,6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[5a]-3:N[5a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(C[6,6]C[3x6]C[6,6]C[5a])	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[5a])	108.3900	0.000	1	108.3900	0.000	1	107.6969	0.547	9	107.6969	0.547	9	107.5071	0.799	12	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:2:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	109.4520	0.013	2	109.4520	0.000	2	109.4520	0.000	2	109.4112	0.075	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:2:4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]S[6]HH)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]S[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]S[6]H)	109.2262	0.131	5	109.2262	0.017	5	109.2262	0.017	5	109.4112	0.075	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:2:4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]S[6]HH)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6])(H)2{1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]S[6]HH){4|C<3>}	H(C[6]C[5a,6]S[6]H)	109.8330	0.027	2	109.8330	0.001	2	109.8330	0.001	2	109.4112	0.075	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[5,6])(H)2	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]O[5a]H)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[5,6])(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]O[5a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5a,6]O[6]H)	109.9575	0.015	2	109.9575	0.000	2	109.8208	0.015	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|S<4>,4|C<3>}	H(C[6]C[5a,6]O[6]H)	109.7390	0.038	2	109.7390	0.001	2	109.8208	0.015	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]O[5a]C)(C[6]O[6]HH){2|C<3>}	H(C[6]C[5a,6]O[6]H)	109.6827	0.049	4	109.6827	0.002	4	109.8208	0.015	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6,6a])(C[5a]C[5a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	H(C[6]C[5a,6]O[6]H)	109.5840	0.000	1	109.5840	0.000	1	109.8208	0.015	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]O[6]HH){1|C<3>,2|C<4>}	H(C[6]C[5a,6]O[6]H)	109.8694	0.089	14	109.8694	0.008	14	109.8208	0.015	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	110.1028	0.026	4	110.1028	0.001	4	110.1028	0.001	4	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[3x6])(H)2	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[3x6])(H)2{2|C<3>,2|C<4>,2|N<3>}	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]O[6]HH){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[6]C[5a,6]O[6]H)	110.1120	0.033	2	110.1120	0.001	2	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[5,6])(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a,6]O[6]H)	109.2925	0.015	2	109.2925	0.000	2	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|N<2>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]O[6]H)	109.5670	0.000	1	109.5670	0.000	1	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2{2|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5a,6]O[6]H)	109.3665	0.012	2	109.3665	0.000	2	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(H)2	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH){5|C<3>}	H(C[6]C[5a,6]O[6]H)	109.3030	0.021	2	109.3030	0.000	2	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,2|N<2>,3|H<1>}	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|O<2>,2|C<4>}	H(C[6]C[5a,6]O[6]H)	109.8700	3.973	2	109.8700	15.781	2	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]O[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	109.5015	2.382	2	109.5015	5.675	2	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	109.5760	0.020	2	109.5760	0.000	2	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	109.4220	0.011	2	109.5340	0.132	4	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	109.6460	0.587	2	109.5340	0.132	4	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]O[6]HH)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]O[6]HH){1|C<4>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	109.4702	0.550	4	109.4702	0.303	4	109.5490	1.089	23	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a])(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]S[6]HH)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a])(H)2{1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]S[6]HH){3|C<3>}	H(C[6]C[5a,6]S[6]H)	109.6105	0.016	2	109.6105	0.000	2	109.6105	0.000	2	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:3:4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a])(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]S[6]HH)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a])(H)2{5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]S[6]HH){4|C<3>}	H(C[6]C[5a,6]S[6]H)	109.9725	0.039	2	109.9725	0.002	2	109.9725	0.002	2	109.7238	0.489	54	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]O[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]O[6]HH)(N[5a]N[5a]){3|C<3>}	H(C[6]C[5a,6]O[6]H)	109.1890	0.023	2	109.1890	0.001	2	109.3358	0.029	4	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]O[6]HH)(N[5a]C[5a])	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]O[6]HH)(N[5a]C[5a]){1|H<1>,2|C<3>}	H(C[6]C[5a,6]O[6]H)	109.4825	0.025	2	109.4825	0.001	2	109.3358	0.029	4	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(O[6]C[5,6])(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]O[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(O[6]C[5,6])(H)2{2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]O[6]HH)(O[5a]C[5a]){2|C<4>,3|H<1>}	H(C[6]C[5a,6]O[6]H)	109.9680	0.018	2	109.9680	0.000	2	109.9680	0.000	2	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5a,6]O[6]H)	108.7345	0.013	2	109.2150	0.308	4	109.2150	0.308	4	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a]){1|O<1>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	109.6955	0.035	2	109.2150	0.308	4	109.2150	0.308	4	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]S[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]S[6]HH)(N[5a]N[5a]){3|C<3>}	H(C[6]C[5a,6]S[6]H)	109.9800	0.000	1	109.9800	0.000	1	110.1057	0.012	3	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]S[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]S[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|I<1>}	H(C[6]C[5a,6]S[6]H)	110.1685	0.026	2	110.1685	0.001	2	110.1057	0.012	3	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6,6a])(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5a,6]S[6]H)	110.1305	0.043	2	109.9937	0.014	6	109.9937	0.014	6	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:1:	3:4:2:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6,6a])(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[5a,6]S[6]H)	109.9253	0.069	4	109.9937	0.014	6	109.9937	0.014	6	109.7062	0.207	19	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:2:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]O[6]HO)	H(C[6]C[5a,6]O[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6])(OC)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]O[6]HO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5a,6]O[6]O)	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:2:1:	3:4:2:	4:	C[5a,6]-3:O[6]-2:O-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a])	H(C[6]C[5a,6]O[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5a,6]O[6]O)	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:4:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(CH3)(H){1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]CH){1|C<4>,5|C<3>}	H(C[6]C[5a,6]O[6]C)	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	109.1857	0.974	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:4:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]O[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]O[6]C)	110.0460	0.000	2	110.0460	0.000	2	109.7780	0.125	6	109.1857	0.974	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:4:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]O[6]C)	109.9640	0.000	2	109.6440	0.137	4	109.7780	0.125	6	109.1857	0.974	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:4:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]O[6]C)	109.3240	0.000	2	109.6440	0.137	4	109.7780	0.125	6	109.1857	0.974	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:4:1:	3:3:4:	4:	C[5a,6]-3:O[6]-2:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH)	H(C[6]C[5a,6]O[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]CH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]O[6]C)	107.9030	0.890	2	107.9030	0.791	2	107.9030	0.791	2	109.1857	0.974	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:2:4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[5,6]HH)	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>}	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>}	H(C[6]C[5a,6]N[5,6]H)	110.0170	0.020	2	110.0170	0.000	2	110.0170	0.000	2	109.8115	0.035	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:2:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.7738	0.185	14	109.7841	0.033	15	109.7841	0.033	15	109.8115	0.035	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:2:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9280	0.000	1	109.7841	0.033	15	109.7841	0.033	15	109.8115	0.035	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6,6a]HH)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6,6a]HH){1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6a]H)	108.8375	0.021	2	108.8375	0.000	2	108.8375	0.000	2	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6a]H)	110.4585	0.042	2	110.4585	0.002	2	110.4585	0.002	2	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	108.9185	0.029	2	108.9185	0.001	2	109.0169	0.015	8	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	108.9305	0.035	2	108.9305	0.001	2	109.0169	0.015	8	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.1915	0.064	2	109.1915	0.004	2	109.0169	0.015	8	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.0270	0.044	2	109.0270	0.002	2	109.0169	0.015	8	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7250	0.017	2	109.7250	0.000	2	109.5525	0.041	6	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6330	0.049	2	109.6330	0.002	2	109.5525	0.041	6	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.2995	0.043	2	109.2995	0.002	2	109.5525	0.041	6	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6200	0.013	2	109.6200	0.000	2	109.6200	0.000	2	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)	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>}	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>}	H(C[6]C[5a,6]N[5,6]H)	109.6275	0.082	4	109.6275	0.007	4	109.6275	0.007	4	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]HH)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6,6]H)	110.1285	0.005	2	110.1285	0.000	2	110.1285	0.000	2	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.6670	0.935	2	110.6670	0.874	2	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6]H)	110.3510	0.288	2	110.3510	0.083	2	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9960	0.028	2	109.9960	0.001	2	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.0115	0.019	2	110.0115	0.000	2	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]N[6]H)	111.3950	0.738	2	111.3950	0.545	2	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	109.7250	0.054	8	109.6691	0.017	22	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.5472	0.089	6	109.6691	0.017	22	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<4>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	109.7048	0.153	8	109.6691	0.017	22	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9935	0.005	2	109.9935	0.000	2	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9275	0.013	2	109.9275	0.000	2	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[5a,6]N[6]H)	110.2475	0.012	2	110.2177	0.001	4	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[5a,6]N[6]H)	110.1880	0.010	2	110.2177	0.001	4	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9740	0.192	4	109.9740	0.037	4	109.9584	0.222	44	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6]H)	107.3950	3.220	2	107.3950	10.369	2	109.9129	1.706	18	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]N[6]H)	110.1145	0.009	2	110.1145	0.000	2	109.9129	1.706	18	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[5a,6]N[6]H)	110.2205	0.152	6	110.2656	0.033	7	109.9129	1.706	18	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]N[6]H)	110.5360	0.000	1	110.2656	0.033	7	109.9129	1.706	18	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]N[6]H)	110.5880	0.004	2	110.5880	0.000	2	109.9129	1.706	18	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH){1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[5a,6]N[6]H)	109.6750	1.793	2	109.6750	3.216	2	109.9129	1.706	18	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.3430	0.040	3	110.3430	0.002	3	109.9129	1.706	18	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.2125	0.011	2	109.2125	0.000	2	109.4649	0.096	7	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]N[6]H)	110.0020	0.000	1	110.0020	0.000	1	109.4649	0.096	7	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]N[6]H)	109.2560	0.033	2	109.2560	0.001	2	109.4649	0.096	7	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]N[6]H)	109.6575	0.016	2	109.6575	0.000	2	109.4649	0.096	7	109.7780	0.531	95	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5a,6]C[6,6]H)	110.7210	0.017	2	110.7210	0.000	2	110.7210	0.000	2	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(S[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6a]H)	108.7657	0.184	4	108.7657	0.034	4	108.7657	0.034	4	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,2|N<3>,2|O<1>}	H(C[6]C[5a,6]C[6]H)	108.8733	0.004	3	108.8733	0.000	3	108.8733	0.000	3	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4200	0.057	2	109.4200	0.003	2	109.4650	0.004	4	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[5,6]O)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[5,6]O)(H)2{2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5100	0.044	2	109.5100	0.002	2	109.4650	0.004	4	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]N[6,6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]N[6,6]HH)(S[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6,6]H)	109.4273	0.092	4	109.4273	0.008	4	109.5762	0.058	6	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6,6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6,6]HH)(S[5a]C[5a]){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6,6]H)	109.8740	0.013	2	109.8740	0.000	2	109.5762	0.058	6	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<2>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.1545	0.005	2	109.7803	0.050	10	109.7803	0.050	10	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.6595	0.067	2	109.7803	0.050	10	109.7803	0.050	10	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:2:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(S[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.6958	0.135	6	109.7803	0.050	10	109.7803	0.050	10	109.5257	0.285	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:C[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])2(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C)	H(C[6]C[5a,6]2H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)2{1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[5a,6]2H)	108.9020	0.049	4	108.9020	0.002	4	108.9020	0.002	4	109.3708	0.980	32	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6a]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6a]HH)(C[5a]N[5a]H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6a]H)	109.5240	0.072	2	109.5240	0.005	2	109.5240	0.005	2	109.3708	0.980	32	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-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	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[6]N[5,6]HH)(C[5a]C[5a]H)	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>}	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>}	H(C[6]C[5a,6]N[5,6]H)	109.5160	0.074	7	109.5160	0.005	7	109.3312	1.498	20	109.3708	0.980	32	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	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>}	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>}	H(C[6]C[5a,6]N[5,6]H)	109.9527	0.116	6	109.9278	0.011	9	109.3312	1.498	20	109.3708	0.980	32	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	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>}	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>}	H(C[6]C[5a,6]N[5,6]H)	109.8780	0.062	3	109.9278	0.011	9	109.3312	1.498	20	109.3708	0.980	32	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	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>}	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>}	H(C[6]C[5a,6]N[5,6]H)	109.5175	0.015	2	107.6655	4.603	4	109.3312	1.498	20	109.3708	0.980	32	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	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>}	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>}	H(C[6]C[5a,6]N[5,6]H)	105.8135	0.301	2	107.6655	4.603	4	109.3312	1.498	20	109.3708	0.980	32	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[6]N[6,6]HH)(C[5a]N[5a]C){2|C<3>,2|C<4>}	H(C[6]C[5a,6]N[6,6]H)	109.7640	0.049	6	109.7640	0.002	6	109.7640	0.002	6	109.3708	0.980	32	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HO){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]O)	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	109.0436	0.617	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]S[5a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){7|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.9560	0.706	3	108.9560	0.498	3	108.9560	0.498	3	109.0436	0.617	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]O[6]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.3673	0.265	3	108.3673	0.070	3	108.3673	0.070	3	109.0436	0.617	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]O[6]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]O[6])	108.4900	0.000	1	108.4900	0.000	1	108.4900	0.000	1	109.0436	0.617	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:3:4:	4:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]N[5,6]HO)	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>}	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>}	H(C[6]C[5a,6]N[5,6]O)	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.0436	0.617	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HO)	H(C[6]C[5a,6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6]O)	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	109.0436	0.617	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]O[6]H)(N[5a]O[5a])	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]O[6]H)(N[5a]O[5a]){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.7447	5.197	3	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a])	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a]){6|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	107.7900	0.000	1	107.7900	0.000	1	107.7900	0.000	1	109.7447	5.197	3	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:2:	4:	C[5a,6]-3:N[5a,6]-3:O-2:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a])	H(C[6]C[5a,6]N[5a,6]O)	C[6](C[5a,6]N[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(OH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[5a,6]HO)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]N[5a,6]O)	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	109.7447	5.197	3	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:C-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]CH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6,6a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]CH)(C[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6a]C)	107.9685	0.074	2	107.9685	0.006	2	107.9685	0.006	2	107.5864	1.543	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.9930	0.000	1	107.9930	0.000	1	107.9930	0.000	1	107.5864	1.543	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	107.6960	0.000	1	107.6960	0.000	1	108.4635	1.178	2	107.5864	1.543	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	109.2310	0.000	1	109.2310	0.000	1	108.4635	1.178	2	107.5864	1.543	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	106.7600	0.000	2	107.4467	1.415	3	107.4467	1.415	3	107.5864	1.543	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]O[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.8200	0.000	1	107.4467	1.415	3	107.4467	1.415	3	107.5864	1.543	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:S[6]-2:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]S[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]S[6]H)(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]S[6])	105.0810	0.000	1	105.0810	0.000	1	105.0810	0.000	1	107.5864	1.543	9	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[5a,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH)	H(C[6]C[5a,6]2C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[5a,6]CH){1|H<1>,2|N<2>,5|C<3>}	H(C[6]C[5a,6]2C)	109.9580	0.228	2	109.9580	0.052	2	109.9580	0.052	2	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[5a,6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH)	H(C[6]C[5a,6]2C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]CH){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]2C)	109.9295	0.216	2	109.9295	0.047	2	109.9295	0.047	2	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]N)	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:N-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]N)	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<1>,2|C<4>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5500	0.000	1	108.5500	0.000	1	108.5500	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2450	0.000	1	108.2450	0.000	1	108.3995	0.048	2	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5540	0.000	1	108.5540	0.000	1	108.3995	0.048	2	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[6a]O[5a])(C[6]C[6a]N[6]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[6a]O[5a])(C[6]C[6a]N[6]H){1|C<4>,1|N<2>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	112.5630	0.000	1	112.5630	0.000	1	112.5630	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.2960	0.000	1	108.2960	0.000	1	108.4940	1.976	4	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	110.5230	0.000	1	110.5230	0.000	1	108.4940	1.976	4	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	107.5785	0.310	2	107.5785	0.096	2	108.4940	1.976	4	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]N[5,6]CH)	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>}	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>}	H(C[6]C[5a,6]N[5,6]C)	107.6735	0.803	2	107.6735	0.644	2	107.6735	0.644	2	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	H(C[6]C[5a,6]N[6,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]N[6,6]C)	107.9800	0.000	1	107.9800	0.000	1	108.6340	0.855	2	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6,6]CH)	H(C[6]C[5a,6]N[6,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,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]N[6,6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6,6]C)	109.2880	0.000	1	109.2880	0.000	1	108.6340	0.855	2	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]N[6]C)	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6]C)	107.4810	0.000	1	107.4810	0.000	1	107.4810	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.7040	0.000	1	107.7040	0.000	1	107.7040	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H){2|C<4>,7|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	108.7055	1.741	23	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<2>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.4780	0.000	1	108.3770	0.184	5	108.3770	0.184	5	108.3770	0.184	5	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.3518	0.491	4	108.3770	0.184	5	108.3770	0.184	5	108.3770	0.184	5	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]2C[6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]2C[6a])	105.7695	0.672	2	107.3282	4.280	4	107.3282	4.280	4	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]2C[6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a]H)(C[5a]C[5a,6a]C){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]2C[6a])	108.8870	1.633	2	107.3282	4.280	4	107.3282	4.280	4	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[5a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[5a]N[6])	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H){2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5a]N[6]H)(C[5a]C[5a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[5a]N[6])	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6,6a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6,6a]CH)(C[5a]N[5a]C){3|C<3>}	H(C[6]C[5a,6]C[6,6a]C)	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.4457	0.098	3	108.5940	0.055	8	108.5054	0.119	9	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.6070	0.000	1	108.5940	0.055	8	108.5054	0.119	9	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.7020	0.290	4	108.5940	0.055	8	108.5054	0.119	9	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.7970	0.000	1	107.7970	0.000	1	108.5054	0.119	9	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.5270	0.000	1	107.5270	0.000	1	107.5270	0.000	1	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.4410	0.000	1	107.4410	0.000	1	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	109.5770	0.000	1	107.8637	2.205	3	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.0070	0.076	2	107.8637	2.205	3	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	110.2830	0.000	1	108.5380	0.950	7	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.8920	0.000	1	108.5380	0.950	7	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.3830	0.286	4	108.5380	0.950	7	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.0590	0.000	1	108.5380	0.950	7	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	109.1860	0.000	1	109.1860	0.000	1	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.9900	0.000	1	107.7405	0.498	4	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.1930	0.000	1	107.7405	0.498	4	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.1520	0.000	1	107.7405	0.498	4	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.6270	0.000	1	107.7405	0.498	4	108.1841	1.009	16	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	106.8533	0.148	3	106.8688	0.016	4	106.8688	0.016	4	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(C[5a]C[5a,6a]C){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	106.9150	0.000	1	106.8688	0.016	4	106.8688	0.016	4	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-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)	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)	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>}	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>}	H(C[6]C[5a,6]N[5,6]C[6a])	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]N[5a,6]C[6a]H)(C[5a]S[5a]H)	H(C[6]C[5a,6]N[5a,6]C[6a])	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]N[5a,6]C[6a]H)(C[5a]S[5a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]N[5a,6]C[6a])	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[6,6]C[6a]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]N[6,6]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]N[6,6]C[6a]H)(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]N[6,6]C[6a])	108.9213	0.050	3	108.9213	0.003	3	108.9213	0.003	3	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,8|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.4880	0.000	1	108.1915	0.176	2	108.1915	0.176	2	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.8950	0.000	1	108.1915	0.176	2	108.1915	0.176	2	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.9260	0.000	1	108.6158	0.323	6	108.6158	0.323	6	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.3852	0.557	4	108.6158	0.323	6	108.6158	0.323	6	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(C[5a]C[5a]H){3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	109.2280	0.000	1	108.6158	0.323	6	108.6158	0.323	6	108.1910	0.927	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	4:3:2:	4:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:N[5a,6]-3:N[5a]-2:	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)	C[5a,6](C[6]N[5,6]C[6a]H)(N[5a,6]N[5a]C[6])(N[5a]N[5a])	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>}	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>}	H(C[6]C[5a,6]N[5,6]C[6a])	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6,6]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6]C[6a])	108.0690	0.000	1	108.4045	0.154	4	108.4045	0.154	4	108.3997	0.109	6	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6,6]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6]C[6a])	108.5163	0.394	3	108.4045	0.154	4	108.4045	0.154	4	108.3997	0.109	6	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6,6a]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	H(C[6]C[5a,6]C[6,6a]C[6a])	108.1880	0.000	1	108.3900	0.082	2	108.3900	0.082	2	108.3997	0.109	6	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[5a,6]-3:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6,6a]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]H)(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){5|C<3>}	H(C[6]C[5a,6]C[6,6a]C[6a])	108.5920	0.000	1	108.3900	0.082	2	108.3900	0.082	2	108.3997	0.109	6	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:2:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6]C)	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H)	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]C[6a]N[5a])(C[6]C[5a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[5a]C[6])	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH)	H(C[6]C[5a,6]C[6,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6,6a]CH){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6a]C)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CHHN)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(C[6]C[6]CH){1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CCHH)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Cl)(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2680	0.000	1	108.2680	0.000	1	108.2680	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.6150	0.000	1	107.6150	0.000	1	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.4280	0.000	1	107.4280	0.000	1	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.3130	0.000	1	107.3130	0.000	1	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.0503	0.105	3	108.0503	0.011	3	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.0590	0.000	1	107.9785	0.447	4	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.4580	0.188	2	107.9785	0.447	4	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9390	0.000	1	107.9785	0.447	4	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2483	0.318	3	108.2483	0.101	3	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]O[6])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.7565	0.047	2	108.7565	0.002	2	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.5120	0.000	1	108.5120	0.000	1	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.3150	0.000	1	107.7150	0.320	2	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1150	0.000	1	107.7150	0.320	2	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.3940	0.257	2	108.2174	0.798	5	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1830	0.000	1	108.2174	0.798	5	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	109.2850	0.000	1	108.2174	0.798	5	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	106.8310	0.000	1	108.2174	0.798	5	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.3310	0.000	1	107.3310	0.000	1	108.0433	0.367	24	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[5]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	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)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[5]H)	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>}	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>}	H(C[6]C[5a,6]C[6]N[5])	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H)	H(C[6]C[5a,6]N[5a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5a]C[5a]N[5a])(C[6]N[5a,6]HH)(H){1|H<1>,1|O<1>,3|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]N[5a])(C[6]N[5a]C[6]H){1|S<4>,2|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]N[5a]C[6])	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6,6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	H(C[6]C[5a,6]N[6,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]N[6,6]C)	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.7690	0.000	1	107.5185	0.126	2	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.2680	0.000	1	107.5185	0.126	2	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	108.3090	0.000	1	108.1030	0.085	2	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.8970	0.000	1	108.1030	0.085	2	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]N[6]C)	108.8100	0.000	1	108.8100	0.000	1	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]N[6]C)	107.4420	0.000	1	107.4420	0.000	1	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]N[6]C)	107.8310	0.000	1	107.8310	0.000	1	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	H(C[6]C[5a,6]N[6]C)	109.9600	0.000	1	109.9600	0.000	1	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	H(C[6]C[5a,6]N[6]C)	109.2560	0.000	1	109.4455	0.072	2	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[5a,6]N[6]C)	109.6350	0.000	1	109.4455	0.072	2	108.4177	0.893	10	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH){1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]N[6]C)	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6]C)	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	108.2973	0.789	44	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6a]C[6])	107.6360	0.000	1	107.6360	0.000	1	107.6360	0.000	1	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.0020	0.000	1	107.0020	0.000	1	107.8647	0.171	7	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1220	0.000	1	108.1220	0.000	1	107.8647	0.171	7	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9490	0.116	2	107.9490	0.013	2	107.8647	0.171	7	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1800	0.000	1	108.1800	0.000	1	107.8647	0.171	7	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.9255	0.281	2	107.9255	0.079	2	107.8647	0.171	7	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.9840	0.000	1	108.3095	0.910	2	108.3980	0.478	3	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.6350	0.000	1	108.3095	0.910	2	108.3980	0.478	3	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.5750	0.000	1	108.5750	0.000	1	108.3980	0.478	3	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a])	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	112.9590	0.000	1	112.9590	0.000	1	112.9590	0.000	1	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a])	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]CH)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]N[6]C)	107.7895	0.026	2	107.7895	0.001	2	107.7895	0.001	2	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:2:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a])	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]N[6]CH)(N[5a]C[5a]){2|C<3>,4|H<1>}	H(C[6]C[5a,6]N[6]C)	108.2105	0.494	2	108.2105	0.244	2	108.2105	0.244	2	108.3026	1.751	16	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5a]C[6])	107.4890	0.263	2	107.4890	0.069	2	107.3433	0.098	3	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[5a]C[6])	107.0520	0.000	1	107.0520	0.000	1	107.3433	0.098	3	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:P-4:H-1:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(C[6]C[6,6a]HP)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6a]P)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(C[6]C[6,6a]HP)(C[5a]N[5a]H){1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6,6a]P)	109.3045	0.183	2	109.3045	0.034	2	109.3045	0.034	2	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.9835	0.523	2	107.9835	0.273	2	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.1280	0.424	2	108.1020	0.092	3	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.0500	0.000	1	108.1020	0.092	3	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]O[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]O[5a]C){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.9630	0.000	1	107.9630	0.000	1	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<2>,2|N<3>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.7200	0.000	1	107.7200	0.000	1	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.7650	0.385	2	107.7650	0.148	2	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.3570	0.000	1	108.3570	0.000	1	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9330	0.000	1	107.9330	0.000	1	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1737	0.322	4	108.1737	0.104	4	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6a]C[6])	110.5530	0.000	1	110.5530	0.000	1	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.8420	0.000	1	108.8420	0.000	1	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.9850	0.000	1	108.9850	0.000	1	108.2695	0.487	18	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]S)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]S){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1200	0.000	1	108.1200	0.000	1	108.1200	0.000	1	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H){2|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]C){1|N<3>,8|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.0890	0.000	1	107.0890	0.000	1	107.6785	0.695	2	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2680	0.000	1	108.2680	0.000	1	107.6785	0.695	2	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.8360	0.000	1	107.8360	0.000	1	107.7810	0.006	2	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	107.7260	0.000	1	107.7260	0.000	1	107.7810	0.006	2	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:C[5]-4:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5]N[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[5]N[6]H)(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[5]N[6])	107.6250	0.000	1	107.6250	0.000	1	107.6250	0.000	1	108.1432	0.539	29	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(S[5a]C[5a,6a])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(S[5a]C[5a,6a])(C[6]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.5800	0.011	2	109.5800	0.000	2	109.7260	0.009	8	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.7965	0.036	2	109.7747	0.001	6	109.7260	0.009	8	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.7638	0.036	4	109.7747	0.001	6	109.7260	0.009	8	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(O[5a]C[5a,6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(O[5a]C[5a,6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5930	0.004	2	109.5930	0.000	2	110.1083	0.112	17	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7125	0.025	2	109.7125	0.001	2	110.1083	0.112	17	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0535	0.033	2	110.0661	0.003	7	110.1083	0.112	17	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0357	0.057	3	110.0661	0.003	7	110.1083	0.112	17	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1245	0.009	2	110.0661	0.003	7	110.1083	0.112	17	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.6165	0.139	2	110.6165	0.019	2	110.1083	0.112	17	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2490	0.000	2	110.2490	0.000	2	110.1083	0.112	17	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.5180	0.000	2	110.5180	0.000	2	110.1083	0.112	17	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7639	0.565	30	109.7639	0.319	30	109.7443	0.291	34	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3500	0.023	2	109.3500	0.001	2	109.7443	0.291	34	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,5a]C[6])(S[5a]C[5a,5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,5a]C[6])(S[5a]C[5a,5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8450	0.004	2	109.8450	0.000	2	109.7443	0.291	34	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[5a,6]C[6]H)	108.0235	0.482	2	108.0235	0.232	2	107.4161	5.256	8	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	103.9805	1.611	2	103.9805	2.597	2	107.4161	5.256	8	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	108.8303	0.735	4	108.8303	0.540	4	107.4161	5.256	8	109.5565	1.386	67	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[3x6]H)	109.9290	0.017	2	110.0045	0.006	11	110.0045	0.006	11	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[3x6]H)	109.9710	0.018	2	110.0045	0.006	11	110.0045	0.006	11	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[3x6]H)	109.9647	0.068	3	110.0045	0.006	11	110.0045	0.006	11	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[3x6]H)	110.0888	0.037	4	110.0045	0.006	11	110.0045	0.006	11	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6,6]N[5,6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6,6]N[5,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[5,6]HH){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.5880	0.061	2	109.5880	0.004	2	109.7912	0.227	19	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.6165	0.005	2	109.6165	0.000	2	109.7912	0.227	19	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5,6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5,6]C)(H)2{1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|H<1>,1|N<3>,3|C<3>,4|C<4>}	H(C[6]C[5a,6]C[5,6]H)	109.0377	0.260	3	109.0377	0.068	3	109.7912	0.227	19	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.5165	0.006	2	109.5763	0.005	4	109.7912	0.227	19	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.6360	0.011	2	109.5763	0.005	4	109.7912	0.227	19	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	110.2205	0.013	2	110.2205	0.000	2	109.7912	0.227	19	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	110.2940	0.060	6	110.2940	0.004	6	109.7912	0.227	19	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[5,6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.8255	0.013	2	109.8255	0.000	2	109.8255	0.000	2	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.7790	0.040	2	109.7790	0.002	2	109.7014	0.417	13	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7490	0.000	1	109.6432	1.185	5	109.7014	0.417	13	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6167	1.255	4	109.6432	1.185	5	109.7014	0.417	13	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.5025	0.217	2	109.5025	0.047	2	109.7014	0.417	13	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6,6]HH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7415	0.012	2	109.7415	0.000	2	109.7014	0.417	13	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.9280	0.006	2	109.9280	0.000	2	109.7014	0.417	13	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	112.0645	1.636	2	112.0645	2.675	2	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.7452	0.171	8	109.7452	0.029	8	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.4735	0.170	6	109.4735	0.029	6	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.8045	0.005	2	109.8045	0.000	2	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]3)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]3)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.0510	0.457	4	109.0510	0.208	4	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	111.1990	0.365	4	110.8351	1.025	12	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.9870	0.006	2	110.8351	1.025	12	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.0190	0.158	4	110.8351	1.025	12	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	112.5875	0.146	2	110.8351	1.025	12	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.9629	0.207	8	109.9629	0.043	8	110.1064	0.915	42	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5,5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5,5a,6]Se[5,5a]C[5,6])(C[5a]O[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	C[5a,6](C[5,5a,6]Se[5,5a]C[5,6])(C[5a]O[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5720	0.094	4	109.5720	0.009	4	109.5720	0.009	4	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6580	0.058	2	109.6580	0.003	2	109.7335	0.250	35	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7790	0.007	2	109.7732	0.261	31	109.7335	0.250	35	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7832	0.071	11	109.7732	0.261	31	109.7335	0.250	35	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6]N[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7664	0.677	18	109.7732	0.261	31	109.7335	0.250	35	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.1935	0.028	2	109.1935	0.001	2	109.7335	0.250	35	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4327	0.071	3	109.3808	0.007	6	109.4232	0.012	8	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3290	0.075	3	109.3808	0.007	6	109.4232	0.012	8	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5505	0.008	2	109.5505	0.000	2	109.4232	0.012	8	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,6|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7643	0.176	6	109.7643	0.031	6	109.8341	0.040	30	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]O[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8809	0.238	14	109.8809	0.057	14	109.8341	0.040	30	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7550	0.013	2	109.8485	0.019	8	109.8341	0.040	30	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0645	0.056	2	109.8485	0.019	8	109.8341	0.040	30	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7873	0.046	4	109.8485	0.019	8	109.8341	0.040	30	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HH){1|S<2>,2|N<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6580	0.020	2	109.6580	0.000	2	109.8341	0.040	30	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7250	0.021	2	109.7250	0.000	2	109.7250	0.000	2	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7620	0.035	2	109.6169	0.019	23	109.6169	0.019	23	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|I<1>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5890	0.068	8	109.6169	0.019	23	109.6169	0.019	23	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6118	0.165	13	109.6169	0.019	23	109.6169	0.019	23	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7930	0.000	1	109.7930	0.000	1	109.6280	0.020	3	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5,5,6,6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5455	0.008	2	109.5455	0.000	2	109.6280	0.020	3	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6000	0.034	2	109.6000	0.001	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.0355	0.016	2	109.0355	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9670	0.022	4	109.9670	0.000	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]O[5a]H)(C[6]C[6]HH){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4150	0.023	2	109.4150	0.001	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	108.6055	0.005	2	108.6055	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4020	0.000	1	109.4020	0.000	1	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]N[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7370	0.007	2	109.7370	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1885	0.016	2	110.1885	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7313	0.070	4	110.0252	0.210	6	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.6130	0.011	2	110.0252	0.210	6	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4655	0.376	4	109.4655	0.141	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5730	0.000	1	109.5730	0.000	1	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6235	0.043	2	109.8350	0.061	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0465	0.039	2	109.8350	0.061	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.4115	0.012	2	109.4115	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7895	0.221	8	109.7895	0.049	8	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6]HH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6690	0.045	2	109.6690	0.002	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C[6a])(C[6]C[6]HH){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6191	0.108	12	109.6191	0.012	12	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]I)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]I)(C[6]C[6]HH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6591	0.230	7	109.6591	0.053	7	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6610	0.004	2	108.8405	22.110	6	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	108.4303	6.015	4	108.8405	22.110	6	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6465	0.018	2	109.6518	0.013	6	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7790	0.017	2	109.6518	0.013	6	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5300	0.049	2	109.6518	0.013	6	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6630	0.006	2	109.6630	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]B[5])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]B[5])(C[6]C[6]HH){1|B<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3093	0.130	4	109.3093	0.017	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3350	0.013	2	109.3350	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5790	0.014	2	109.6895	0.016	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5,5a]C[6])(C[5a]N[5,5a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8000	0.008	2	109.6895	0.016	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6]N[6])(C[5a]C[5a,6]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a,6]N[6])(C[5a]C[5a,6]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7850	0.031	2	109.7850	0.001	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a,6a]N[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a,6a]N[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6140	0.110	3	109.6140	0.012	3	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5200	0.014	2	109.5200	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6450	0.011	2	109.7757	0.213	10	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5545	0.113	4	109.7757	0.213	10	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9710	0.525	2	109.7757	0.213	10	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1535	1.008	2	109.7757	0.213	10	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5830	0.014	2	109.7195	0.025	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8560	0.037	2	109.7195	0.025	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9525	0.033	2	109.9525	0.001	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[6]HH){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6415	0.016	2	109.6415	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1940	0.006	2	110.1940	0.000	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4612	0.169	20	109.3495	0.049	74	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4608	0.110	4	109.3495	0.049	74	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3720	0.045	2	109.3495	0.049	74	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.2478	0.249	25	109.3495	0.049	74	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3417	0.207	23	109.3495	0.049	74	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9223	0.039	8	109.9223	0.002	8	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1760	0.025	2	110.1760	0.001	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6]HH){1|N<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0573	0.083	6	110.0573	0.007	6	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|S<2>,2|C<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4245	0.019	2	109.4769	0.011	10	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4375	0.012	2	109.4769	0.011	10	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5075	0.132	6	109.4769	0.011	10	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8930	0.133	4	109.8930	0.018	4	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1945	0.029	2	110.1945	0.001	2	109.5643	0.632	220	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]B[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2{1|B<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(N[5a,6]C[5a,6]B[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.2053	0.052	4	109.2053	0.003	4	109.2053	0.003	4	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.6825	0.224	2	110.6825	0.050	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	110.2905	0.011	2	110.2905	0.000	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	110.7360	0.348	2	110.7360	0.121	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.9545	0.175	8	109.9545	0.031	8	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1115	0.059	2	110.1115	0.003	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.3500	0.128	4	109.3500	0.016	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.3060	0.090	4	110.3060	0.008	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8310	0.020	2	109.8310	0.000	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7420	0.052	2	109.7420	0.003	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4573	0.025	4	109.4573	0.001	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0125	0.021	2	110.0125	0.000	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9415	0.183	4	109.3054	1.608	8	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	108.6693	1.625	4	109.3054	1.608	8	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2435	0.009	2	110.2435	0.000	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	110.1285	0.025	2	110.1285	0.001	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]S)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8540	0.020	2	109.8540	0.000	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0705	0.103	4	110.0705	0.011	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5487	0.033	4	109.5487	0.001	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.3100	0.064	2	109.3100	0.004	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.6390	0.037	2	109.6390	0.001	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,5|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5915	0.009	2	109.6988	0.015	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8060	0.018	2	109.6988	0.015	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.9025	0.862	2	110.2855	0.865	21	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[5a,6]C[6]H)	110.1305	1.727	2	110.2855	0.865	21	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	110.3256	0.929	14	110.2855	0.865	21	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7903	0.627	3	110.2855	0.865	21	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5255	0.054	2	109.5255	0.003	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8920	0.011	2	109.6372	0.093	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3825	0.138	2	109.6372	0.093	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	109.7985	0.052	4	109.7985	0.003	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8170	0.000	1	109.8170	0.000	1	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.2595	1.648	2	110.4119	2.804	12	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8210	0.018	2	110.4119	2.804	12	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9550	0.028	2	110.4119	2.804	12	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	113.5240	2.036	2	110.4119	2.804	12	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9500	0.038	2	110.4119	2.804	12	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9620	0.007	2	110.4119	2.804	12	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[5])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[5])(C[6]C[6]HH){1|Hf<12>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3460	0.079	2	109.3460	0.006	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7030	0.008	2	110.0709	0.791	32	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8227	0.069	6	110.0709	0.791	32	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9393	0.130	16	110.0709	0.791	32	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8900	0.064	3	110.0709	0.791	32	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8600	0.052	2	110.0709	0.791	32	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	112.7180	3.019	2	110.0709	0.791	32	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0710	0.000	1	110.0709	0.791	32	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9585	0.046	4	109.9585	0.002	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8590	0.045	2	109.8978	6.166	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9365	4.300	2	109.8978	6.166	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0620	0.024	2	110.0283	0.006	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0115	0.092	4	110.0283	0.006	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.9570	0.199	2	110.2647	0.296	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,2|N<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9105	0.009	2	110.2647	0.296	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9265	0.016	2	110.2647	0.296	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7510	0.000	1	110.0327	0.060	3	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1735	0.009	2	110.0327	0.060	3	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]N)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7030	0.055	2	109.7030	0.003	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2975	0.036	2	110.2975	0.001	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2730	0.033	2	109.5045	0.788	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	108.7360	0.037	2	109.5045	0.788	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8865	0.012	2	109.8865	0.000	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6405	0.032	2	109.8008	0.041	5	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.6800	0.000	1	109.8008	0.041	5	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.0215	0.015	2	109.8008	0.041	5	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.1825	0.025	2	109.1825	0.001	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|S<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.3950	0.008	4	110.3950	0.000	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9408	0.091	4	110.0880	0.057	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|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]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.3825	0.013	2	110.0880	0.057	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2050	0.028	2	110.9373	0.735	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	111.6695	0.247	2	110.9373	0.735	4	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0930	0.061	2	109.7700	0.445	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6085	0.798	4	109.7700	0.445	6	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	111.3945	0.450	2	111.3945	0.203	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	108.4500	3.806	2	108.4500	14.483	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	110.3330	0.004	2	110.3330	0.000	2	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	H(C[6]C[5a,6]C[6]H)	109.9120	0.100	3	109.9120	0.010	3	109.9928	0.770	211	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5777	0.018	3	109.5777	0.000	3	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	108.3390	0.000	1	108.3390	0.000	1	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3800	0.008	2	109.3800	0.000	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3904	0.237	21	109.4069	0.054	23	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5800	0.006	2	109.4069	0.054	23	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6947	0.084	4	109.6444	0.009	8	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6710	0.014	2	109.6444	0.009	8	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5170	0.007	2	109.6444	0.009	8	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.9715	0.619	2	110.9715	0.383	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.0255	0.023	2	109.0255	0.001	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5625	0.024	4	109.5625	0.001	4	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3175	0.009	2	109.3175	0.000	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4155	0.028	2	109.4155	0.001	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6425	0.019	4	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4505	0.033	2	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5320	0.000	1	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7006	0.114	14	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6718	0.065	4	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8080	0.020	2	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	108.9880	0.065	2	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6395	0.006	2	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5350	0.051	2	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6860	0.008	2	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7785	0.040	2	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7315	0.036	2	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8344	0.158	11	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5047	0.073	3	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6158	0.076	4	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	108.7844	0.272	9	109.5462	0.133	66	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7938	0.123	4	109.7938	0.015	4	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3913	0.223	15	109.5333	0.260	27	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1587	0.807	3	109.5333	0.260	27	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6307	0.722	7	109.5333	0.260	27	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3185	0.021	2	109.5333	0.260	27	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	108.8995	0.013	2	108.8995	0.000	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0960	0.030	2	109.9123	0.115	9	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8599	0.373	7	109.9123	0.115	9	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2{1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.3465	0.042	2	110.3465	0.002	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3410	0.000	1	109.3410	0.000	1	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	108.6925	0.954	2	108.6925	0.910	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6155	0.023	2	109.6092	0.001	6	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6060	0.031	4	109.6092	0.001	6	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	108.5580	1.288	2	109.3088	1.305	4	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0595	0.009	2	109.3088	1.305	4	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4920	0.199	4	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7867	0.437	30	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8104	0.127	7	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8245	0.008	2	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8816	0.469	9	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6175	0.081	4	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7160	0.074	2	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7525	0.136	4	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5830	0.100	2	109.7641	0.130	64	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8055	0.026	2	109.4385	0.112	14	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3773	0.323	12	109.4385	0.112	14	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7920	0.332	6	109.6244	0.492	17	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6615	1.521	4	109.6244	0.492	17	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4596	0.043	7	109.6244	0.492	17	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2900	0.004	2	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7310	0.051	4	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9590	0.013	2	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0985	0.340	28	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1202	0.413	6	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8940	0.078	2	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5670	0.047	2	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0805	0.550	12	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7695	0.025	4	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7248	0.010	4	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7545	0.021	2	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1071	0.210	8	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7309	0.181	32	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6763	0.954	6	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9295	0.069	2	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1158	0.081	5	109.9258	0.147	121	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]O[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]O[5a])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7437	0.065	12	109.7437	0.004	12	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7108	0.283	6	109.7306	0.059	8	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.7900	0.031	2	109.7306	0.059	8	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[4,6]N[5a])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9636	0.112	8	109.9636	0.013	8	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0298	0.162	4	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.3085	0.009	2	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0955	0.195	4	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1400	0.000	1	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6650	0.000	1	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5618	0.317	4	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6515	0.018	2	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6285	0.039	2	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4885	0.028	2	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1542	0.074	4	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0280	0.027	2	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.3205	0.006	2	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|I<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2220	0.006	2	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6642	0.059	4	109.9201	0.095	36	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9320	0.006	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1035	0.008	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9465	0.016	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9475	0.181	4	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1170	0.008	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6279	0.172	8	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7535	0.009	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2027	0.167	4	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.6608	1.023	5	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	111.5045	0.433	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5565	0.012	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7215	0.012	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.2627	0.186	3	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1290	0.008	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9690	0.017	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9660	0.034	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0700	0.006	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5502	0.575	6	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8490	0.010	4	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7545	0.032	2	109.9410	0.307	60	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9945	0.009	2	109.9945	0.000	2	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6040	0.000	1	109.7389	0.012	14	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8065	0.052	2	109.7389	0.012	14	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9490	0.023	2	109.7389	0.012	14	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6921	0.044	9	109.7389	0.012	14	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1465	0.013	2	110.1437	0.000	3	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1380	0.000	1	110.1437	0.000	3	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.0147	0.099	6	109.0147	0.010	6	109.7422	0.210	537	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2{1|N<2>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.5455	0.022	2	109.5455	0.000	2	109.5455	0.000	2	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7580	0.164	8	109.7838	0.019	12	109.8237	0.026	16	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8355	0.018	4	109.7838	0.019	12	109.8237	0.026	16	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1015	0.005	2	109.9433	0.033	4	109.8237	0.026	16	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5,5a]N[5,5a]C[5])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7850	0.011	2	109.9433	0.033	4	109.8237	0.026	16	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,5a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,5a]C[5a,5a]C[5a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,5a]C[5a,5a]C[5a])(C[5a,6]S[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6180	0.006	2	109.6180	0.000	2	109.6180	0.000	2	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[5a,6](N[5a,6]C[5,5a]C[6,6])(C[5a]N[5,5a]N)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.2140	0.041	2	109.2140	0.002	2	109.4030	0.153	21	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.8775	0.050	2	109.8775	0.003	2	109.4030	0.153	21	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	108.9740	0.042	4	108.9740	0.002	4	109.4030	0.153	21	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.2585	0.163	4	109.2585	0.027	4	109.4030	0.153	21	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.1985	0.019	2	109.1985	0.000	2	109.4030	0.153	21	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2260	0.014	2	110.2260	0.000	2	109.4030	0.153	21	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7060	0.018	2	109.7060	0.000	2	109.4030	0.153	21	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	109.3633	0.034	3	109.3633	0.001	3	109.4030	0.153	21	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8050	0.030	2	109.8050	0.001	2	109.8050	0.001	2	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:H-1:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	103.2280	0.000	1	103.2280	0.000	1	103.2280	0.000	1	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){2|C<4>,4|H<1>}	H(C[6]C[5a,6]N[6]H)	109.3705	0.035	2	109.3705	0.001	2	110.8895	3.952	6	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]HH){2|C<4>,4|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9840	0.035	2	109.9840	0.001	2	110.8895	3.952	6	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]N[6]HH){1|C<4>,4|H<1>}	H(C[6]C[5a,6]N[6]H)	113.3140	1.321	2	113.3140	1.745	2	110.8895	3.952	6	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:3:4:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9770	0.020	2	109.9770	0.000	2	109.9770	0.000	2	109.7593	0.473	1216	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]C[5a])	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(N[5a]C[5a]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	110.5025	0.951	6	110.5025	0.904	6	110.5025	0.904	6	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	111.0495	0.023	2	111.0495	0.001	2	110.8075	0.039	6	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	110.6865	0.077	4	110.6865	0.006	4	110.8075	0.039	6	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(N[5a]O[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]HH)(N[5a]O[5a]){1|H<1>,5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.1750	0.085	4	109.1750	0.007	4	109.1750	0.007	4	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]O[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]O[5a]){5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.7830	0.027	2	109.7950	0.001	3	109.6025	0.020	33	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]O[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]O[5a]){5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.8190	0.000	1	109.7950	0.001	3	109.6025	0.020	33	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]){2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.5694	0.126	28	109.5694	0.016	28	109.6025	0.020	33	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7775	0.016	2	109.7775	0.000	2	109.6025	0.020	33	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.4130	0.021	2	109.6984	0.064	21	109.6967	0.058	23	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.0443	0.068	6	109.6984	0.064	21	109.6967	0.058	23	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6550	0.008	2	109.6984	0.064	21	109.6967	0.058	23	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.5695	0.137	11	109.6984	0.064	21	109.6967	0.058	23	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.6785	0.005	2	109.6785	0.000	2	109.6967	0.058	23	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.5050	0.028	2	110.5050	0.001	2	110.1668	0.072	8	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.8530	0.021	2	109.8530	0.000	2	110.1668	0.072	8	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0195	0.026	2	110.0195	0.001	2	110.1668	0.072	8	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	110.2895	0.026	2	110.2895	0.001	2	110.1668	0.072	8	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7805	0.008	2	109.7805	0.000	2	109.7805	0.000	2	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]O[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]O[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.3435	6.623	2	110.3435	43.870	2	110.3435	43.870	2	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9630	0.111	4	109.9630	0.012	4	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5806	0.149	5	109.5806	0.022	5	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.6333	0.066	4	109.5960	0.010	5	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	109.4470	0.000	1	109.5960	0.010	5	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]O[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]O[5a]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.8835	0.021	2	109.8835	0.000	2	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4005	0.016	2	109.4688	0.006	4	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.5370	0.011	2	109.4688	0.006	4	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8080	0.017	2	109.8080	0.000	2	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0535	0.025	2	109.9257	0.022	4	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7980	0.038	2	109.9257	0.022	4	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]S[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]S[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.3080	0.000	1	110.3080	0.000	1	109.7409	0.057	27	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8865	0.005	2	109.8865	0.000	2	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9970	0.000	1	109.9970	0.000	1	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.8500	0.018	2	110.0180	0.109	8	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7510	0.000	1	110.0180	0.109	8	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7450	0.024	2	110.0180	0.109	8	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	110.2240	0.000	1	110.0180	0.109	8	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	110.4895	0.015	2	110.0180	0.109	8	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|O<1>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	109.7985	0.518	4	109.7985	0.268	4	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	109.5620	0.013	2	109.5620	0.000	2	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1965	0.009	2	110.2752	0.005	6	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	110.3145	0.042	4	110.2752	0.005	6	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0389	0.210	8	110.0389	0.044	8	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8560	0.033	2	109.9430	0.011	4	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0300	0.018	2	109.9430	0.011	4	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	111.4175	1.054	2	111.4175	1.112	2	110.0757	0.220	37	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4330	0.025	2	109.4330	0.001	2	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|Cl<1>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7258	0.100	4	109.7258	0.010	4	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	110.8702	0.968	4	110.8702	0.937	4	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6070	0.010	2	109.6799	0.786	80	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	112.6065	3.429	2	109.6799	0.786	80	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.8277	0.148	20	109.6799	0.786	80	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.7533	0.057	6	109.6799	0.786	80	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.4822	0.779	25	109.6799	0.786	80	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6202	0.354	23	109.6799	0.786	80	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	108.2865	3.170	2	109.6799	0.786	80	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9288	0.026	4	110.0047	0.020	25	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	110.0978	0.096	6	110.0047	0.020	25	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<4>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.6570	0.035	2	110.0047	0.020	25	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[5a,6]C[6]H)	110.1230	0.033	5	110.0047	0.020	25	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|N<3>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.9857	0.059	8	110.0047	0.020	25	109.7892	0.636	115	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,6|H<1>}	H(C[6]C[5a,6]C[6]H)	109.3615	0.006	2	109.3615	0.000	2	109.3615	0.000	2	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:2:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(O[5a]N[5a])	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(O[5a]N[5a]){1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5a,6]N[6]H)	110.5668	0.037	5	110.5668	0.001	5	110.5668	0.001	5	109.8488	0.564	271	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6]N[5]H)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]HH)(C[5a]N[5a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[5,6]H)	110.0965	0.022	2	110.0965	0.000	2	110.0965	0.000	2	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H){2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[5,6]H)	109.8090	0.010	2	109.8090	0.000	2	109.6008	0.033	12	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]HH)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]HH)(C[5a]N[5a]C){2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[5,6]H)	109.8175	0.046	2	109.8175	0.002	2	109.6008	0.033	12	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5a,6](C[5a,6]S[5a]S[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[5a,6]C[5,6]H)	109.4945	0.112	8	109.4945	0.013	8	109.6008	0.033	12	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](N[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](N[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5a,6]C[5,6]H)	109.7015	0.045	4	109.7015	0.002	4	109.8907	1.648	14	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[5,6]H)	109.9467	0.096	4	109.9467	0.009	4	109.8907	1.648	14	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[5,6]H)	110.5185	0.013	2	110.5185	0.000	2	109.8907	1.648	14	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|B<4>,1|H<1>,3|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[5,6]H)	109.6315	0.015	2	109.7100	6.773	4	109.8907	1.648	14	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|B<4>,1|H<1>,3|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]HH)(C[5a]C[5a]H){1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.7885	4.505	2	109.7100	6.773	4	109.8907	1.648	14	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:H-1:O-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]HO)(N[5a]C[5a]S)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)(O){1|H<1>,1|O<2>,1|S<4>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]HO)(N[5a]C[5a]S){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[5,6]O)	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	110.0030	0.031	2	109.8656	0.153	24	109.8656	0.153	24	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.6295	0.340	4	109.8656	0.153	24	109.8656	0.153	24	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.6187	0.093	6	109.8656	0.153	24	109.8656	0.153	24	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	110.6010	0.765	2	109.8656	0.153	24	109.8656	0.153	24	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.8001	0.049	8	109.8656	0.153	24	109.8656	0.153	24	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|N<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	110.4675	0.235	2	109.8656	0.153	24	109.8656	0.153	24	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|N<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.2796	0.120	56	109.2796	0.014	56	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,2|N<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.4487	0.157	3	109.4487	0.025	3	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.1840	0.311	2	109.3792	0.031	8	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.4443	0.057	6	109.3792	0.031	8	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|H<1>,2|N<3>,4|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7262	0.056	4	109.7262	0.003	4	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5a,6]C[6,6]H)	109.2170	0.000	1	109.2170	0.000	1	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|O<2>,6|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7465	0.006	2	111.4610	10.274	4	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	113.1755	4.366	2	111.4610	10.274	4	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.6545	1.446	2	109.6545	2.091	2	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(C[5a]O[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2{1|H<1>,3|C<3>,3|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(C[5a]O[5a]H){1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5a,6]C[6,6]H)	109.8623	0.142	7	109.8623	0.020	7	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2{1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.4180	0.018	2	109.4109	0.036	10	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2{1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]HH)(C[5a]N[5a]C){2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	109.4091	0.216	8	109.4109	0.036	10	109.4680	0.573	95	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]H){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.7456	0.100	25	109.7456	0.010	25	109.7456	0.010	25	109.6084	0.501	173	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]O)	108.6012	0.863	5	108.6012	0.744	5	108.6012	0.744	5	108.6012	0.744	5	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[3x6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO)	H(C[6]C[5a,6]C[3x6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(OH)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[3x6]O)	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]S[5]H)(OH)(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[5,6]HO){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[5,6]O)	107.8860	0.000	1	107.8860	0.000	1	108.5073	1.835	3	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[5,6]HO)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(OH)(H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[5,6]HO){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6]O)	107.5750	0.000	1	107.5750	0.000	1	108.5073	1.835	3	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HO)	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(OC)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]HO){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	H(C[6]C[5a,6]C[5,6]O)	110.0610	0.000	1	110.0610	0.000	1	108.5073	1.835	3	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:N-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN)	H(C[6]C[5a,6]C[6,6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]N)	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(OH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]HO){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6]O)	108.7920	0.000	1	108.7920	0.000	1	108.7920	0.000	1	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	110.1520	0.000	1	110.1520	0.000	1	108.7040	1.314	4	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]O)	108.6470	0.245	2	108.2213	0.574	3	108.7040	1.314	4	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HO)(OH)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]O)	107.3700	0.000	1	108.2213	0.574	3	108.7040	1.314	4	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	109.1240	0.000	1	109.1240	0.000	1	109.1434	0.850	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	107.7070	0.000	1	107.7070	0.000	1	109.1434	0.850	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	110.2710	0.000	1	110.2710	0.000	1	109.1434	0.850	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]S[5a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	109.2340	0.000	1	109.2340	0.000	1	109.1434	0.850	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(OC)(H){1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]O)	109.3810	0.000	1	109.3810	0.000	1	109.1434	0.850	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]S)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(OO)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]S)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]O)	109.9730	0.000	1	109.9730	0.000	1	110.0020	0.247	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OC)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]O)	110.5300	0.000	1	110.5300	0.000	1	110.0020	0.247	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(OH)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]O)	109.7550	0.000	1	109.7550	0.000	1	110.0020	0.247	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	110.4300	0.000	1	110.4300	0.000	1	110.0020	0.247	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	109.3220	0.000	1	109.3220	0.000	1	110.0020	0.247	5	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6]HO){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	108.7310	0.000	1	108.7310	0.000	1	108.1890	2.178	3	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	109.3170	0.000	1	109.3170	0.000	1	108.1890	2.178	3	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(OH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	106.5190	0.000	1	106.5190	0.000	1	108.1890	2.178	3	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HO){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]O)	108.2580	0.000	1	108.2580	0.000	1	108.3317	0.204	3	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]O)	108.3685	0.633	2	108.3685	0.401	2	108.3317	0.204	3	108.8749	1.134	26	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:4:2:	4:	C[5a,6]-3:C[5,6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HO)(O[5a]C[5a])	H(C[6]C[5a,6]C[5,6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HO)(O[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5a,6]C[5,6]O)	109.5883	0.280	4	109.5883	0.078	4	109.5883	0.078	4	109.1837	1.693	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:C-2:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H){2|C<3>,2|N<2>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]C)	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	109.1837	1.693	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a])	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a]){2|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6]O)	110.4150	0.000	1	110.4150	0.000	1	108.1435	10.319	2	109.1837	1.693	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a])	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a]){2|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6]O)	105.8720	0.000	1	105.8720	0.000	1	108.1435	10.319	2	109.1837	1.693	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a])	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[3,6]N[5a])(C[6]C[6]HO)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6]O)	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	109.1837	1.693	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HO)(O[5a]C[5a])	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HO)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]O)	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.1837	1.693	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a])	H(C[6]C[5a,6]C[6]O)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6]HO)(N[5a]C[5a]){3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]O)	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	109.1837	1.693	10	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:2:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:O-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6,6]O)	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH)	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(COO)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6]C)	107.8200	0.494	2	107.8200	0.244	2	107.8200	0.244	2	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]C[6a]H)	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]C[6a]H){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	107.0640	0.000	1	107.0640	0.000	1	107.0640	0.000	1	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5]N[6]H)	H(C[6]C[5a,6]C[5]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5]N[6]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[5]N[6])	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){2|C<3>,3|H<1>,4|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.9250	0.342	2	107.9250	0.117	2	107.9250	0.117	2	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(COO)(H){1|C<2>,1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	108.5830	0.000	1	108.5830	0.000	1	108.5830	0.000	1	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	108.7150	0.174	2	108.7150	0.030	2	108.6083	0.517	9	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(COO)(H){1|C<4>,1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	109.1953	0.423	3	109.1953	0.179	3	108.6083	0.517	9	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	107.5190	0.000	1	107.5190	0.000	1	108.6083	0.517	9	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(COO)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	108.5490	0.000	1	108.5490	0.000	1	108.6083	0.517	9	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	108.9570	0.000	1	108.1955	1.160	2	108.6083	0.517	9	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	107.4340	0.000	1	108.1955	1.160	2	108.6083	0.517	9	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(COO)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	108.7250	0.000	1	108.7250	0.000	1	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(COO)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	108.1855	0.777	2	108.1855	0.604	2	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(COO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	109.0080	0.000	1	109.0080	0.000	1	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	108.5170	0.000	1	108.5170	0.000	1	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(COO)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	106.5090	0.000	1	106.5090	0.000	1	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	109.0790	0.464	2	109.6277	1.011	3	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]C)(COO)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]C)	110.7250	0.000	1	109.6277	1.011	3	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	107.9350	0.000	1	107.9350	0.000	1	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	108.9310	0.000	1	109.2680	0.227	2	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	109.6050	0.000	1	109.2680	0.227	2	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	109.4890	0.008	2	109.4890	0.000	2	108.8187	1.013	14	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]H)(COO)(H){2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	108.9095	0.124	2	108.9095	0.015	2	108.9095	0.015	2	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[6,6]N[5a])(C[5a]C[6a]N[5a])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.6890	0.030	2	108.6890	0.001	2	108.6890	0.001	2	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){1|C<4>,2|C<2>,3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.1230	0.486	2	107.1230	0.237	2	107.6020	0.162	7	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.6890	0.000	1	107.6890	0.000	1	107.6020	0.162	7	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8197	0.163	4	107.8197	0.026	4	107.6020	0.162	7	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HN){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]N)	108.8600	0.000	1	108.8600	0.000	1	107.8320	0.834	3	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	H(C[6]C[5a,6]C[6]N)	107.5210	0.000	1	107.5210	0.000	1	107.8320	0.834	3	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|N<3>,1|S<4>,2|H<1>,2|O<1>}	H(C[6]C[5a,6]C[6]N)	107.1150	0.000	1	107.1150	0.000	1	107.8320	0.834	3	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]N)	108.0350	0.000	1	108.0350	0.000	1	108.6587	0.934	3	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]N)	108.1690	0.000	1	108.1690	0.000	1	108.6587	0.934	3	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]N)	109.7720	0.000	1	109.7720	0.000	1	108.6587	0.934	3	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]HN){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]N)	110.3140	0.000	1	110.3140	0.000	1	108.3505	7.711	2	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HN){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]N)	106.3870	0.000	1	106.3870	0.000	1	108.3505	7.711	2	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]N)	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	108.3473	0.872	51	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:2:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[5,6]C[6a]H)(O[5a]C[5a,6a])	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[5,6]C[6a]H)(O[5a]C[5a,6a]){1|O<2>,1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	106.5580	0.000	1	106.5580	0.000	1	106.5580	0.000	1	107.7387	1.286	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:N-3:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	H(C[6]C[5a,6]C[6,6]N)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6,6]N)	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.7387	1.286	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(O[5a]C[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(O[5a]C[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	107.7387	1.286	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	107.7387	1.286	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a])	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9370	0.725	2	107.9370	0.526	2	107.9370	0.526	2	107.7387	1.286	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:2:	4:	C[5a,6]-3:P[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]H)(S[5a]C[5a])	H(C[6]C[5a,6]C[6a]P[6])	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6]H)(S[5a]C[5a]){1|S<1>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]P[6])	106.2470	0.000	1	106.2470	0.000	1	106.2470	0.000	1	107.7387	1.286	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a,6]C[5,6]C)	109.2123	0.092	3	109.0667	0.090	4	109.0667	0.090	4	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5a,6]C[5,6]C)	108.6300	0.000	1	109.0667	0.090	4	109.0667	0.090	4	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6]){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	106.2830	0.058	2	106.2830	0.003	2	106.6130	0.148	6	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6])	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|S<1>,1|S<2>,2|N<3>,3|H<1>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]S[6]){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	106.3120	0.000	1	106.3120	0.000	1	106.6130	0.148	6	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6]){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	106.9333	0.243	3	106.9333	0.059	3	106.6130	0.148	6	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CNO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]C)	108.1430	0.000	1	108.1430	0.000	1	108.4027	0.051	3	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]C)	108.5325	0.039	2	108.5325	0.002	2	108.4027	0.051	3	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.4120	0.375	2	109.1223	0.322	3	109.1223	0.322	3	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(C[5a]N[5a]C){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5430	0.000	1	109.1223	0.322	3	109.1223	0.322	3	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	3:4:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]C)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	108.0672	1.402	17	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[5a]-3:H-1:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H)	C[5a,6](C[6]C[5,6]C[5a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S)	H(C[6]C[5a,6]C[5,6]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H){1|N<2>,1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a,6](C[6]C[5,6]C[5a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6]C[5a])	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	109.7193	1.572	3	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[5a,6](C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S)	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[6]C[5,6]C[6a]H)(C[5a,6]N[5a]C[6])(N[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6]C[6a])	109.5615	1.730	2	109.5615	2.994	2	109.5615	2.994	2	109.7193	1.572	3	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:2:4:	4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H)	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[5,6]CH)	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5a,6]C[5,6]C)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	107.9625	0.000	2	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:2:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,2|F<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]CH){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	107.9625	0.000	2	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[5,6]CH)	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(CHHO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]S)(C[6]C[5,6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[5,6]C)	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[5,6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH)	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]CH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[5,6]C)	107.2040	0.501	4	107.2040	0.251	4	107.2040	0.251	4	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6,6]C)	108.1538	0.558	4	107.8128	0.815	5	106.9707	2.389	8	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]C)(CH3)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5a,6]C[6,6]C)	106.4490	0.000	1	107.8128	0.815	5	106.9707	2.389	8	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]CH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.0250	0.000	1	107.0250	0.000	1	106.9707	2.389	8	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	104.1960	0.000	1	104.8385	0.826	2	106.9707	2.389	8	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]CH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]C)	105.4810	0.000	1	104.8385	0.826	2	106.9707	2.389	8	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){2|H<1>,3|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]C)(C[6]C[6,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6]C)	107.2690	1.308	3	107.2690	1.710	3	107.2690	1.710	3	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]CH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]CH){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]C)	106.5030	0.000	1	106.5030	0.000	1	106.5030	0.000	1	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	108.6540	0.000	1	108.3593	0.066	3	108.4953	0.249	6	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H)	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6](C[5a,6]C[5a]N[6])(C[5a]N[5a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	108.2120	0.048	2	108.3593	0.066	3	108.4953	0.249	6	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	108.7810	0.000	1	108.7810	0.000	1	108.4953	0.249	6	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	107.8600	0.000	1	107.8600	0.000	1	108.4953	0.249	6	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)(H){1|N<2>,1|O<1>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(C[6]C[6]CH){2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	109.2530	0.000	1	109.2530	0.000	1	108.4953	0.249	6	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){3|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6]C)	107.0930	0.000	1	107.0930	0.000	1	108.6776	0.973	7	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	108.5490	0.000	1	108.5490	0.000	1	108.6776	0.973	7	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]C)	108.2790	0.000	1	108.2790	0.000	1	108.6776	0.973	7	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHHN)(H){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]C)	108.6770	0.000	1	108.6770	0.000	1	108.6776	0.973	7	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	109.0000	0.000	1	109.0000	0.000	1	108.6776	0.973	7	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CH)(CHHN)(H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	110.4220	0.000	1	110.4220	0.000	1	108.6776	0.973	7	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CHHP)(H){1|C<2>,1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]C)	108.7230	0.000	1	108.7230	0.000	1	108.6776	0.973	7	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	107.4810	0.000	1	107.4810	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]CH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]C)	105.5790	0.000	1	105.5790	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	108.0970	0.000	1	108.0970	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|S<4>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	107.1110	0.000	1	107.1110	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	107.4610	0.000	1	107.4610	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	108.9700	0.000	1	108.9700	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	107.2880	0.000	1	107.2880	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(CCCH)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	106.7510	0.000	1	106.7510	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[5a,6]C[6]C)	108.0080	0.000	1	108.0080	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CF3)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	107.2730	0.000	1	107.2730	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CHHN)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6]C)	109.3690	0.000	1	109.3690	0.000	1	107.5807	1.070	11	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	107.9180	0.000	1	107.9180	0.000	1	107.6427	0.108	3	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCoHH)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCoHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<4>,6|H<1>}	H(C[6]C[5a,6]C[6]C)	107.5050	0.321	2	107.5050	0.103	2	107.6427	0.108	3	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H)	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCHH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]S[6])(C[5a]C[5a]H)(C[6]C[6]HN){1|C<4>,1|S<4>,2|H<1>,2|O<1>}	H(C[6]C[5a,6]C[6]N)	107.3580	0.000	1	107.3580	0.000	1	107.3580	0.000	1	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:C[6]-4:N-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN)	H(C[6]C[5a,6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NH3)(H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN){1|C<3>,1|N<2>,1|O<1>,4|C<4>}	H(C[6]C[5a,6]C[6]N)	108.2055	0.449	2	108.2055	0.202	2	108.2055	0.202	2	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]N[6]C)	108.8760	0.013	2	108.8760	0.000	2	108.8034	0.012	5	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]N[6]C)	108.8280	0.006	2	108.7550	0.016	3	108.8034	0.012	5	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:3:4:	4:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]N[6]C)	108.6090	0.000	1	108.7550	0.016	3	108.8034	0.012	5	107.8359	1.253	52	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:4:2:	4:	C[5a,6]-3:C[6,6]-4:N-4:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	H(C[6]C[5a,6]C[6,6]N)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCCH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[5a,6]C[6,6]N)	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	108.0690	0.065	4	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(CCCO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6]C)	108.4380	0.000	1	108.4380	0.000	1	108.1960	0.117	2	108.0690	0.065	4	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a])	H(C[6]C[5a,6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CCHO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[6]C[6]CH)(N[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6]C)	107.9540	0.000	1	107.9540	0.000	1	108.1960	0.117	2	108.0690	0.065	4	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:4:2:	4:	C[5a,6]-3:C[6]-4:C[5]-4:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H)	C[5a,6](C[5a,6]C[5,6]S[5a])(C[6]C[5]C[6]H)(N[5a]C[5a])	H(C[6]C[5a,6]C[5]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(C[5]C[5]2H)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5,6]S[5a])(C[6]C[5]C[6]H)(N[5a]C[5a]){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[5]C[6])	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	108.0690	0.065	4	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[5]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5]C[6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[5]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5]C[5]2C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5]C[6]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5]C[6])	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	107.7112	0.030	8	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.7007	0.106	3	107.6843	0.029	7	107.6843	0.029	7	107.7112	0.030	8	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]CH)(C[5a]C[5a]H){2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.6720	0.222	4	107.6843	0.029	7	107.6843	0.029	7	107.7112	0.030	8	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:2:4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(C[6]C[5,6]HH){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[5,6]H)	109.5590	0.023	2	109.5590	0.001	2	109.5125	0.003	4	109.5125	0.003	4	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:2:4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	N[5a,6]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a,6]N[5a])(H)2	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a,6]N[5a])(H)2{1|C<2>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5,6]HH){1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[5,6]H)	109.4660	0.018	2	109.4660	0.000	2	109.5125	0.003	4	109.5125	0.003	4	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:3:4:	4:	C[4x6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	H(C[6]C[5a,6]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[4x6]H)	108.8960	0.017	2	109.2349	0.096	8	109.2349	0.096	8	109.4859	0.173	14	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:3:4:	4:	C[4x6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH)	H(C[6]C[5a,6]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[4x6]HH){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[4x6]H)	109.3478	0.271	6	109.2349	0.096	8	109.2349	0.096	8	109.4859	0.173	14	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:3:4:	4:	C[5,5,6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]N[5,5,6]H)(C[5a,6]C[5a,6a]C[5a,6])(H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,5,6]HH)	H(C[6]C[5,5,6]C[5a,6]H)	C[6](C[5,5,6]C[5,5,6,6]N[5,5,6]H)(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|N<3>,3|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,5,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,5,6]C[5a,6]H)	109.8255	0.008	2	109.8255	0.000	2	109.8255	0.000	2	109.4859	0.173	14	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2{1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[5,6]HH){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	110.1315	0.012	2	110.1315	0.000	2	110.1315	0.000	2	109.4859	0.173	14	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:3:4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]C[5a,6]N[5a])(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]HH)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]C[5a,6]N[5a])(H)2{1|N<3>,1|O<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]HH){1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5a,6]C[5,6]H)	109.5050	0.031	2	109.5050	0.001	2	109.5050	0.001	2	109.4859	0.173	14	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:4:2:	4:	C[3,6,6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6]C[5a,6]O[5a])(H)2	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[3,6,6]HH)(O[5a]C[5a])	H(C[6]C[3,6,6]C[5a,6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[3,6,6]HH)(O[5a]C[5a]){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[3,6,6]C[5a,6]H)	110.2770	0.000	1	110.2770	0.000	1	110.2770	0.000	1	109.8326	0.236	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:4:2:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[5,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[5,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	110.3845	0.022	2	110.3845	0.000	2	110.3845	0.000	2	109.8326	0.236	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:4:2:	4:	C[6,6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a]){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.4885	0.021	2	109.4885	0.000	2	109.4455	0.003	4	109.8326	0.236	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:4:2:	4:	C[6,6]-4:C[5a,6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	109.4025	0.008	2	109.4025	0.000	2	109.4455	0.003	4	109.8326	0.236	7	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]N[5a,6]C[5a])(H)2	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]N[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|N<2>,3|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[5,6]H)	109.8227	0.197	4	109.8227	0.039	4	109.8227	0.039	4	109.8227	0.039	4	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[5a,6]-3:O-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C)	H(C[6]C[5a,6]C[6,6]O)	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a,6]C[5a])(OC)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HO)(C[5a]C[5a]C){3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]O)	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	109.5130	0.000	1	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:3:1:	3:3:4:	4:	C[5,6]-4:C[5a,6]-3:C-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(COO)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]CH)	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]CH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[5,6]C)	107.3655	0.494	2	107.3655	0.244	2	107.3655	0.244	2	107.3655	0.244	2	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:3:1:	3:4:2:	4:	C[5,6]-4:C[5a,6]-3:C-3:H-1:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]O[5a])(COO)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(O[5a]C[5a])	H(C[6]C[5a,6]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6]O[5a])(COO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6]C)	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:3:1:	3:4:3:	4:	C[4x6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a,6]-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6])	H(C[6]C[5a,6]C[4x6]C[6a])	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[4x6]C[6a]H)(C[5a,6]N[5a]C[6]){1|H<1>,1|N<3>,2|O<2>,3|C<4>,4|C<3>}	H(C[6]C[5a,6]C[4x6]C[6a])	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.6017	0.669	3	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]O[5a]C)	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]O[5a]C){1|O<2>,7|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	107.4200	1.068	2	107.4200	1.140	2	107.4200	1.140	2	107.6017	0.669	3	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:C[5a,6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H)	C[5a,6](C[5a,6]C[5,6]O[5a])(C[6]C[6,6]CH)(C[5a]C[5a]H)	H(C[6]C[5a,6]C[6,6]C)	C[6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a,6]C[5a])(CH3)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5,6]O[5a])(C[6]C[6,6]CH)(C[5a]C[5a]H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]C)	107.7283	0.188	3	107.7283	0.035	3	107.7283	0.035	3	107.7283	0.035	3	109.4991	0.911	2416	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:2:2:1:	3:4:2:	4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	H(C[6]C[5a]O[6]2)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){1|C<3>,3|C<4>}	H(C[6]C[5a]O[6]2)	109.5648	0.230	5	109.7680	0.103	10	109.7680	0.103	10	109.6393	0.220	12	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:2:2:1:	3:4:2:	4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	H(C[6]C[5a]O[6]2)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){1|H<1>,3|C<4>}	H(C[6]C[5a]O[6]2)	110.3560	0.000	1	109.7680	0.103	10	109.7680	0.103	10	109.6393	0.220	12	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:2:2:1:	3:4:2:	4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	H(C[6]C[5a]O[6]2)	C[6](C[5a]C[5a]O[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){2|C<4>,2|H<1>}	H(C[6]C[5a]O[6]2)	109.8750	0.193	4	109.7680	0.103	10	109.7680	0.103	10	109.6393	0.220	12	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:2:2:1:	3:4:2:	4:	C[5a]-3:O[6]-2:O[6]-2:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(O[6]C[6])2(H)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(S[5a]C[5a])	H(C[6]C[5a]O[6]2)	C[6](C[5a]C[5a]S[5a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(S[5a]C[5a]){1|Br<1>,1|C<3>,2|C<4>}	H(C[6]C[5a]O[6]2)	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	109.6393	0.220	12	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:2:2:1:	3:4:2:	4:	C[5a]-3:S[6]-2:S[6]-2:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(S[6]C[6])2(H)	C[5a](C[5a]O[5a]Cl)(C[6]S[6]2H)(N[5a]C[5a])	H(C[6]C[5a]S[6]2)	C[6](C[5a]C[5a]N[5a])(S[6]C[6])2(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5a](C[5a]O[5a]Cl)(C[6]S[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>}	H(C[6]C[5a]S[6]2)	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	109.6393	0.220	12	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:2:3:1:	3:4:3:	4:	C[5a]-3:O[6]-2:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(O[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	106.9820	0.000	1	106.9820	0.000	1	106.9820	0.000	1	106.9820	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:2:4:1:	4:3:2:	4:	C[5a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]O[6]CH)(H){1|H<1>,4|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	107.9800	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:2:1:	4:3:2:	4:	C[5a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]C[6])(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a]C[6]O[6])	107.4010	0.000	1	107.4010	0.000	1	107.4010	0.000	1	107.1050	0.175	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:2:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H)	C[5a](C[6]C[6,6a]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	H(C[6]C[6,6a]C[5a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a](C[6]C[6,6a]O[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[5a]O[6])	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	107.1050	0.175	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|H<1>,6|C<3>}	H(C[6]C[5a]C[6]2)	107.6240	0.000	1	107.6240	0.000	1	107.3115	0.195	2	108.5966	0.496	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)2(H){2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	106.9990	0.000	1	106.9990	0.000	1	107.3115	0.195	2	108.5966	0.496	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.3780	0.000	1	108.3780	0.000	1	108.7476	0.087	9	108.5966	0.496	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	H(C[6]C[5a]C[6]2)	108.7717	0.294	7	108.7938	0.078	8	108.7476	0.087	9	108.5966	0.496	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]2)(C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>,2|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6]C[6]2H){7|C<3>}	H(C[6]C[5a]C[6]2)	108.9480	0.000	1	108.7938	0.078	8	108.7476	0.087	9	108.5966	0.496	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:3:4:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]N[6]2H)	H(C[6]C[5a]N[6]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]N[6]2H){2|H<1>,4|C<4>}	H(C[6]C[5a]N[6]2)	109.8400	0.000	1	109.8400	0.000	1	109.8400	0.000	1	108.5966	0.496	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:3:4:	4:	C[6,6]-3:C[6,6]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6,6]2H)	H(C[6]C[6,6]2C[5a])	C[6](C[6,6]C[6,6]C[6])2(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,5|C<4>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6,6]2H){6|C<3>}	H(C[6]C[6,6]2C[5a])	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	108.5966	0.496	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|Br<1>,1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.3560	0.000	1	108.0437	0.241	6	108.0437	0.241	6	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.2200	0.000	1	108.0437	0.241	6	108.0437	0.241	6	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	H(C[6]C[5a]C[6]2)	107.5950	0.000	1	108.0437	0.241	6	108.0437	0.241	6	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.4065	0.155	2	108.0437	0.241	6	108.0437	0.241	6	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,5|C<3>}	H(C[6]C[5a]C[6]2)	107.2780	0.000	1	108.0437	0.241	6	108.0437	0.241	6	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.7735	0.013	2	108.0042	0.919	5	108.0042	0.919	5	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.4020	0.000	1	108.0042	0.919	5	108.0042	0.919	5	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	106.5570	0.000	1	108.0042	0.919	5	108.0042	0.919	5	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)2(H){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	107.5150	0.000	1	108.0042	0.919	5	108.0042	0.919	5	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H)	C[5a](N[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	107.8670	0.000	1	107.8670	0.000	1	107.8670	0.000	1	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(O[5a]C[5a])	H(C[6]C[5a]N[6]2)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(O[5a]C[5a]){3|C<3>,3|H<1>}	H(C[6]C[5a]N[6]2)	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H)	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(S[5a]C[5a])	H(C[6]C[5a]N[6]2)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(S[5a]C[5a]){2|H<1>,4|C<4>}	H(C[6]C[5a]N[6]2)	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a])	H(C[6]C[5a]N[6]2)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a]H)(C[6]N[6]2H)(N[5a]C[5a]){2|N<3>,4|H<1>}	H(C[6]C[5a]N[6]2)	106.9565	2.391	2	106.9565	5.716	2	106.9565	5.716	2	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:2:	4:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H)	C[5a](C[5a]C[5a,6a]H)(C[6]C[6,6a]2H)(O[5a]C[5a,6a])	H(C[6]C[6,6a]2C[5a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H){1|S<4>,3|H<1>,6|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[6]C[6,6a]2H)(O[5a]C[5a,6a]){6|C<3>}	H(C[6]C[6,6a]2C[5a])	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	107.9032	1.071	17	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[5a]C[6])	107.8820	0.000	1	107.7170	0.035	3	107.7170	0.035	3	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5a]-3:C[6,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6]C[5a]C[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6]C[5a]C[6])	107.6345	0.172	2	107.7170	0.035	3	107.7170	0.035	3	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[5a]S[5a]B[5])(C[6]C[6]N[6]H)(C[5a]C[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,1|S<2>}	C[5a](C[5a]S[5a]B[5])(C[6]C[6]N[6]H)(C[5a]C[5a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	108.5270	0.197	2	108.5270	0.039	2	108.5270	0.039	2	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	106.0173	0.114	4	106.0173	0.013	4	106.0173	0.013	4	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[6,6]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6,6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[5a])	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	106.3820	0.000	1	106.3820	0.000	1	107.6048	0.658	6	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.6945	0.268	2	107.6945	0.072	2	107.6048	0.658	6	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.8260	0.000	1	108.3285	0.495	2	107.6048	0.658	6	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.8310	0.000	1	108.3285	0.495	2	107.6048	0.658	6	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.2010	0.000	1	107.2010	0.000	1	107.6048	0.658	6	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	N[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a])	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.7675	0.428	2	107.7675	0.183	2	107.7675	0.183	2	107.3697	0.774	20	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:2:2:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a])	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	108.2550	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	H(C[6]C[5,6]C[5a]C[6])	108.5900	0.000	1	108.5900	0.000	1	108.5900	0.000	1	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H)	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a,6]C[5a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[5a]N[6])	108.7530	0.000	1	108.7530	0.000	1	108.8010	0.005	2	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H)	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a,6]C[5a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H){2|H<1>,6|C<3>}	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[5a]N[6])	108.8490	0.000	1	108.8490	0.000	1	108.8010	0.005	2	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|N<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	108.0530	0.000	1	108.0530	0.000	1	108.0530	0.000	1	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.8380	0.451	2	107.8380	0.204	2	107.8380	0.204	2	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a])	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.7350	0.000	1	107.7350	0.000	1	107.0485	13.880	6	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.7320	0.918	4	108.7320	0.842	4	107.0485	13.880	6	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H){2|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	99.6279	0.000	1	99.6279	0.000	1	107.0485	13.880	6	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[5a](C[6]C[6,6a]2H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[6,6a]2C[5a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H){1|H<1>,2|O<2>,7|C<3>}	C[5a](C[6]C[6,6a]2H)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[5a])	108.3445	0.729	2	108.3445	0.531	2	108.3445	0.531	2	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	C[5a](C[6]C[6,6a]N[6,6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[6,6a]N[6,6]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[5a](C[6]C[6,6a]N[6,6]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6]C[5a])	108.3680	0.328	2	108.3680	0.108	2	108.3680	0.108	2	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[5a]N[6])	106.6015	1.273	2	106.6015	1.622	2	107.6836	1.553	5	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){4|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.4050	0.586	3	108.4050	0.343	3	107.6836	1.553	5	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	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)	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	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>}	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>}	H(C[6]N[5,6]C[5a]C[6])	109.0420	0.000	1	109.0420	0.000	1	109.0420	0.000	1	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	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)	C[5a](C[6]N[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	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>}	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>}	H(C[6]N[5,6]C[5a]N[6])	108.5490	0.000	1	108.5490	0.000	1	108.5490	0.000	1	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:2:	4:	N[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H)	C[5a](C[6]N[5a,6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]N[5a,6]C[5a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[5a](C[6]N[5a,6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,3|H<1>}	H(C[6]N[5a,6]C[5a]N[6])	108.4495	0.648	2	108.4495	0.420	2	108.4495	0.420	2	107.9564	3.341	27	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4620	0.000	1	107.4620	0.000	1	107.4580	0.000	2	107.7548	0.470	5	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[5a]C[6]N[6])	107.4540	0.000	1	107.4540	0.000	1	107.4580	0.000	2	107.7548	0.470	5	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[5a]C[6]N[6])	108.4555	0.260	2	108.4555	0.067	2	108.4555	0.067	2	107.7548	0.470	5	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	107.7548	0.470	5	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	3:4:2:	4:	C[5a]-3:C[6]-3:C[6]-4:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]C)(C[6]C[6]CH)(H){1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	107.3970	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H)	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5a]C[6])	107.5320	0.308	2	107.5320	0.095	2	107.5320	0.095	2	107.5326	0.624	9	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5a]C[6]N[6])	107.5070	0.000	1	107.5070	0.000	1	108.3095	1.288	2	107.5326	0.624	9	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	109.1120	0.000	1	109.1120	0.000	1	108.3095	1.288	2	107.5326	0.624	9	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H){2|H<1>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5a]C[6])	106.8330	0.000	1	106.8330	0.000	1	107.0192	0.366	4	107.5326	0.624	9	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.6160	0.000	1	107.6160	0.000	1	107.0192	0.366	4	107.5326	0.624	9	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	106.8140	0.789	2	106.8140	0.623	2	107.0192	0.366	4	107.5326	0.624	9	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[5a]-3:C[6]-4:H-1:	C[5a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C)	H(C[6]C[5a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[6]C[6]N[6]H)(C[5a]C[5a]C){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5a]C[6]N[6])	108.0330	0.000	1	108.0330	0.000	1	108.0330	0.000	1	107.5326	0.624	9	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5a]C[6])	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	104.9660	0.000	1	104.9660	0.000	1	104.9660	0.000	1	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	108.5320	0.000	1	108.5320	0.000	1	107.8345	0.973	2	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5a]C[6])	107.1370	0.000	1	107.1370	0.000	1	107.8345	0.973	2	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.1150	0.000	1	107.1150	0.000	1	107.2370	0.030	2	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5a]C[6])	107.3590	0.000	1	107.3590	0.000	1	107.2370	0.030	2	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	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)	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	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>}	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>}	H(C[6]N[5,6]C[5a]C[6])	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[6]N[5a,6]C[5a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[5a]C[6])	108.9750	0.000	1	108.2397	0.433	3	108.2397	0.433	3	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[6]N[5a,6]C[5a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5a,6]C[5a]C[6])	107.8720	0.233	2	108.2397	0.433	3	108.2397	0.433	3	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H)	C[5a](C[6]N[5a,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]N[5a,6]C[5a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[5a]C[5a]S[5a])(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[6]N[5a,6]C[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5a,6]C[5a]C[6])	108.1035	0.412	2	108.1035	0.170	2	108.1035	0.170	2	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:2:	4:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]N[6,6]C[5a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[5a]C[6])	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	107.8146	1.097	13	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H)	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	H(C[6]C[5a,6]C[5a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[5a]C[6])	107.0570	0.000	1	107.0570	0.000	1	107.0570	0.000	1	107.1240	0.670	3	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.9740	0.000	1	107.9740	0.000	1	107.9740	0.000	1	107.1240	0.670	3	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	106.3410	0.000	1	106.3410	0.000	1	106.3410	0.000	1	107.1240	0.670	3	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	3:3:4:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.8030	0.208	2	108.8030	0.043	2	108.8030	0.043	2	108.8030	0.043	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	3:4:3:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	108.8160	0.000	1	108.8160	0.000	1	109.1030	0.165	2	109.1030	0.165	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	3:4:3:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]O[6])	109.3900	0.000	1	109.3900	0.000	1	109.1030	0.165	2	109.1030	0.165	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	4:2:2:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a])	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]N[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<4>}	H(C[6]C[5a]C[6]O[6])	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]O[5a]H)(N[5a]C[5a])	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5a](C[6]C[6]O[6]H)(C[5a]O[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	108.5886	0.163	7	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]O[6])	108.2950	0.000	1	108.2950	0.000	1	108.5672	0.063	5	108.5886	0.163	7	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]O[6])	108.7237	0.182	3	108.7237	0.033	3	108.5672	0.063	5	108.5886	0.163	7	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(O[6]C[6])(H){1|O<1>,2|H<1>,5|C<3>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]O[6])	108.3700	0.000	1	108.3700	0.000	1	108.5672	0.063	5	108.5886	0.163	7	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	4:3:2:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a]C[6]O[6])	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.5886	0.163	7	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:2:1:	4:3:3:	4:	C[5a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.2355	0.500	2	108.2355	0.250	2	108.2355	0.250	2	108.2355	0.250	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	106.5370	0.000	1	106.5370	0.000	1	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6,6a]HO)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.3860	0.000	1	108.3860	0.000	1	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.8300	0.000	1	107.8300	0.000	1	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	106.8880	0.000	2	106.9330	0.006	3	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.0230	0.000	1	106.9330	0.006	3	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[5a]C[6]2)	107.5570	0.000	1	107.5570	0.000	1	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	107.4085	0.035	2	107.4085	0.001	2	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	110.2050	0.000	1	110.2050	0.000	1	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[5a]C[6]2)	107.9910	0.000	1	107.9910	0.000	1	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.0220	0.000	1	107.0220	0.000	1	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	105.5730	0.000	1	105.5730	0.000	1	107.4398	1.189	13	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5a]C[6]2)	105.3160	0.000	1	105.3160	0.000	1	107.8612	2.089	5	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	108.2990	0.000	1	108.2990	0.000	1	107.8612	2.089	5	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]2)	108.7390	0.148	2	108.7390	0.022	2	107.8612	2.089	5	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-3:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]HH)(C[6]C[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	108.2130	0.000	1	108.2130	0.000	1	107.8612	2.089	5	107.5568	1.369	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:4:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]C[6])(C[6]C[6]N[6]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H)	H(C[6]C[5,6]C[5a]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]N[6]H)(C[5a]N[5a]H){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[5a]N[6])	108.9055	0.460	2	108.9055	0.212	2	108.9055	0.212	2	109.2302	3.179	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]C){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	111.6650	0.000	1	111.6650	0.000	1	109.5550	8.904	2	109.2302	3.179	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	3:4:3:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.4450	0.000	1	107.4450	0.000	1	109.5550	8.904	2	109.2302	3.179	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:2:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){1|H<1>,5|C<3>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	107.9060	0.000	1	107.4660	0.396	6	107.4660	0.396	6	107.4660	0.396	6	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:2:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	107.2680	0.709	4	107.4660	0.396	6	107.4660	0.396	6	107.4660	0.396	6	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:2:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	107.8180	0.000	1	107.4660	0.396	6	107.4660	0.396	6	107.4660	0.396	6	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a,6]-3:C[5,6]-4:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H)	C[5a](C[6]C[5a,6]C[5,6]H)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[6]C[5a,6]C[5,6]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[5a]C[5a]N[5a])(H){1|N<2>,1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5a](C[6]C[5a,6]C[5,6]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[5,6]C[5a])	109.9850	0.000	1	109.9850	0.000	1	109.9850	0.000	1	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.2290	0.163	2	108.2290	0.026	2	107.8352	0.593	13	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.2350	0.342	4	107.2350	0.117	4	107.8352	0.593	13	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	108.6230	0.000	1	108.6230	0.000	1	107.8352	0.593	13	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	107.4440	0.143	2	107.4440	0.020	2	107.8352	0.593	13	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[5a]C[6]N[6])	109.1490	0.000	1	109.1490	0.000	1	107.8352	0.593	13	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	109.1600	0.000	1	107.9333	1.143	3	107.8352	0.593	13	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	107.3200	0.168	2	107.9333	1.143	3	107.8352	0.593	13	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.5340	0.000	1	107.5340	0.000	1	108.2893	0.429	3	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.7040	0.000	1	108.7040	0.000	1	108.2893	0.429	3	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	108.6300	0.000	1	108.6300	0.000	1	108.2893	0.429	3	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|O<2>,2|C<4>,2|N<2>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	H(C[6]C[5a]C[6]N[6])	106.0325	0.185	2	106.0325	0.034	2	107.3140	2.503	4	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	109.2690	0.000	1	109.2690	0.000	1	107.3140	2.503	4	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:3:1:	4:3:2:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[5a]-3:N[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.9220	0.000	1	107.9220	0.000	1	107.3140	2.503	4	107.9032	1.086	21	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	2:2:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-2:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(C[6]C[6]2H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.2930	0.000	1	107.2930	0.000	1	107.5295	0.112	2	107.5295	0.112	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	2:2:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-2:S[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.7660	0.000	1	107.7660	0.000	1	107.5295	0.112	2	107.5295	0.112	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:2:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:O[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.1010	0.246	2	107.1010	0.061	2	107.1010	0.061	2	107.2000	0.131	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:2:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.2990	0.540	2	107.2990	0.292	2	107.2990	0.292	2	107.2000	0.131	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5,5a])(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5,5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	H(C[6]C[5a]C[6]2)	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.4190	0.000	1	107.4190	0.000	1	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a]C[6]2)	106.9140	0.000	1	106.9140	0.000	1	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.0550	0.000	1	108.0550	0.000	1	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]CO)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	106.7490	0.000	1	106.7490	0.000	1	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	H(C[6]C[5a]C[6]2)	108.1700	0.000	1	108.1700	0.000	1	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5a]C[6]2)	106.5580	0.000	1	106.5580	0.000	1	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5a]C[6]2)	107.3950	0.000	1	107.3950	0.000	1	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,2|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5a]C[6]2)	107.8660	0.000	1	107.7325	0.036	2	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2(H){2|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5a]C[6]2)	107.5990	0.000	1	107.7325	0.036	2	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(C[6]N[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	106.8060	0.000	1	106.8060	0.000	1	107.3531	0.331	10	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]2)	107.3960	0.000	1	107.3960	0.000	1	107.2717	0.982	7	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a]C[6]2)	107.3480	0.000	1	107.3480	0.000	1	107.2717	0.982	7	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]HW)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]HW)(H){3|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2H){1|W<7>,2|C<4>,5|H<1>}	H(C[6]C[5a]C[6]2)	108.0990	0.000	1	108.0990	0.000	1	107.2717	0.982	7	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.2460	0.000	1	107.2460	0.000	1	107.2717	0.982	7	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[5a]C[6]2)	105.1940	0.000	1	105.1940	0.000	1	107.2717	0.982	7	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,5|H<1>}	H(C[6]C[5a]C[6]2)	108.1910	0.000	1	108.1910	0.000	1	107.2717	0.982	7	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:N[5a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]2H){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	107.4280	0.000	1	107.4280	0.000	1	107.2717	0.982	7	107.2986	0.531	18	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]N[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){2|C<3>,2|N<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a]C[6]2)	107.9910	0.000	1	107.9910	0.000	1	107.3114	1.152	7	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a]){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a]C[6]2)	107.5923	0.622	3	107.1982	1.275	6	107.3114	1.152	7	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]O[5a]){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a]C[6]2)	106.8040	1.528	3	107.1982	1.275	6	107.3114	1.152	7	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[5,6]HH)(C[6]C[6]HW)(H){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|W<7>,3|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	106.4330	0.000	1	106.4330	0.000	1	107.4690	0.797	6	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5a]C[6]2)	107.9580	0.000	1	107.9580	0.000	1	107.4690	0.797	6	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5a]C[6]2)	108.0850	0.066	2	108.0850	0.004	2	107.4690	0.797	6	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HW)(C[6]N[6]HH)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HW)(C[6]N[6]HH)(H){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.0420	0.000	1	108.0420	0.000	1	107.4690	0.797	6	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:O[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)	C[5a](C[5a]C[5a]N)(C[6]C[6]2H)(O[5a]N[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6]H)(C[6]C[6]CO)(H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N)(C[6]C[6]2H)(O[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5a]C[6]2)	106.2110	0.000	1	106.2110	0.000	1	107.4690	0.797	6	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6]-4:S[5a]-2:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(S[5a]C[5a]){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5a]C[6]2)	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[5a](N[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]N[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.0580	0.000	1	108.0580	0.000	1	107.9775	0.013	2	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	3:4:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	N[5a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H)	C[5a](N[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(H){2|C<4>,2|N<2>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5a]C[6]2)	107.8970	0.000	1	107.8970	0.000	1	107.9775	0.013	2	107.3424	1.007	16	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.0750	0.211	2	107.0750	0.044	2	107.7731	0.347	8	107.8481	0.336	10	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.5110	0.000	1	107.5930	0.013	2	107.7731	0.347	8	107.8481	0.336	10	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.6750	0.000	1	107.5930	0.013	2	107.7731	0.347	8	107.8481	0.336	10	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.3687	0.365	3	108.3687	0.133	3	107.7731	0.347	8	107.8481	0.336	10	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5a]-2:O[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H)	C[5a](C[6]C[6]2H)(N[5a]N[5a])(O[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5a]C[6]2)	107.7430	0.000	1	107.7430	0.000	1	107.7731	0.347	8	107.8481	0.336	10	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	3:4:4:1:	4:2:2:	4:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5a]-2:S[5a]-2:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(S[5a]C[5a])	H(C[6]C[5a]C[6]2)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,4|H<1>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5a]C[6]2)	108.1480	0.607	2	108.1480	0.368	2	108.1480	0.368	2	107.8481	0.336	10	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:S[5a]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H)	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a,6a]H)(S[5a]C[5a,6a])	H(C[6]C[5,6]C[5a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[5a]C[5a]S[5a])(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[5a]O[6])	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5,6]C[5a]O[6])	C[6](C[5,6]C[5,6]C[5]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[5a](C[6]C[5,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[5a]O[6])	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.5400	0.202	8	108.5851	0.110	13	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>,3|O<2>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.8870	0.000	1	108.5851	0.110	13	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3,6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.5998	0.555	4	108.5851	0.110	13	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.3040	0.000	1	108.0260	0.083	3	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[3x6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.8870	0.222	2	108.0260	0.083	3	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.4515	0.581	4	108.0174	0.187	29	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.6530	0.144	3	108.0174	0.187	29	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.1867	0.152	7	108.0174	0.187	29	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[5a]O[6])	108.3088	0.185	12	108.0174	0.187	29	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.7340	0.164	2	108.0174	0.187	29	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[6,6]C[5a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[6]C[6,6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[5a]O[6])	107.2600	0.000	1	108.0174	0.187	29	108.1820	0.220	45	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.9500	0.000	1	108.9500	0.000	1	108.7860	0.335	19	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6,6])(H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.8840	0.000	1	108.8840	0.000	1	108.7860	0.335	19	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.7690	0.188	2	108.7706	0.374	17	108.7860	0.335	19	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.8929	0.823	8	108.7706	0.374	17	108.7860	0.335	19	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.7770	0.000	1	108.7706	0.374	17	108.7860	0.335	19	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[5a]-3:O[6]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[5a]C[5a]2)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a]C[6]O[6])	108.6070	0.432	6	108.7706	0.374	17	108.7860	0.335	19	108.4200	0.546	65	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[5a]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[6]N[5a,6]CH)(C[5a]C[5a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6]C[6]2H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5a]C[6]2)	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	108.2220	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5,6]C[5a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[5a]N[6])	108.7500	0.000	1	108.7500	0.000	1	108.1935	0.619	2	107.9170	0.539	3	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H)	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5,6]C[5a]N[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[5a]N[6])	107.6370	0.000	1	107.6370	0.000	1	108.1935	0.619	2	107.9170	0.539	3	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[5a]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H)	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[6,6]C[5a]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[5a]C[6])	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.9170	0.539	3	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	H(C[6]C[5a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	3:2:4:	4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	N[5a]-3:N[5a]-2:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[6]C[5a]C[6]H)(C[5a]N[5a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]2)	108.2910	0.464	2	108.2910	0.215	2	108.2910	0.215	2	108.2910	0.215	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[5a]-3:C[6]-4:H-1:	C[5a]-3:C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H)	H(C[6]C[5a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|S<2>,3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5a]C[6]2)	108.0830	0.240	2	108.0830	0.058	2	108.0830	0.058	2	108.0830	0.058	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H)	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,6|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[5a]C[6])	108.2820	0.000	1	108.2820	0.000	1	107.3660	1.678	2	107.3660	1.678	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H)	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[5a]C[6])	106.4500	0.000	1	106.4500	0.000	1	107.3660	1.678	2	107.3660	1.678	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[5a]C[6])	108.2830	0.000	1	107.4920	1.251	2	107.1360	1.006	3	107.4283	1.012	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[5a]C[6])	106.7010	0.000	1	107.4920	1.251	2	107.1360	1.006	3	107.4283	1.012	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[5a]C[6])	106.4240	0.000	1	106.4240	0.000	1	107.1360	1.006	3	107.4283	1.012	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	4:3:2:	4:	C[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[6]C[6,6]C[5a]C[6])	C[6](C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[5a]C[6])	108.3050	0.000	1	108.3050	0.000	1	108.3050	0.000	1	107.4283	1.012	4	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H)	C[5a](C[6]C[5,5,6]C[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	H(C[6]C[5,5,6]C[5a]C[6])	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[5a]C[5a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<2>,1|S<4>,4|H<1>,5|C<3>}	C[5a](C[6]C[5,5,6]C[6]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[5a]C[6])	105.2390	0.000	1	105.2390	0.000	1	105.2390	0.000	1	106.9970	1.298	5	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]2C[6])(C[5a]C[5a]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,2|O<2>,7|H<1>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[5a]C[6])	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	106.9970	1.298	5	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:N[5a]-3:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	H(C[6]C[5,6]C[5a]C[6])	C[6](C[5,6]C[5]N[5]O[6])(C[5a]C[5a]N[5a])(C[6]C[6]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[5a]C[6])	106.9930	0.000	1	106.9930	0.000	1	106.9930	0.000	1	106.9970	1.298	5	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:3:4:1:	4:3:3:	4:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	H(C[6]N[6,6]C[5a]C[6])	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(C[5a]O[5a]H){3|C<4>,4|H<1>}	H(C[6]N[6,6]C[5a]C[6])	107.9770	0.375	2	107.9770	0.140	2	107.9770	0.140	2	106.9970	1.298	5	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:4:3:1:	3:4:2:	4:	C[5,6]-4:C[5,6]-4:C[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]2H)(N[5a]N[5a])	H(C[6]C[5,6]2C[5a])	C[6](C[5,6]C[5,6,6]C[5]H)2(C[5a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]2H)(N[5a]N[5a]){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]2C[5a])	107.0320	0.092	2	107.0320	0.008	2	107.0320	0.008	2	107.0320	0.008	2	107.9604	1.194	330	109.3379	1.532	2978
466	727	951	0:SP3_SP-NON_SP2	C[6]	C[5a]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[6,6]-4:C[5a]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H)	C[5a](C[6]C[5,6]C[6,6]H)(C[5a]C[5a]N)(O[5a]N[5a])	H(C[6]C[5,6]C[6,6]C[5a])	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]O[6]H)(C[5a]C[5a]O[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>,7|C<3>}	C[5a](C[6]C[5,6]C[6,6]H)(C[5a]C[5a]N)(O[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]C[5a])	107.5483	0.185	3	107.5483	0.034	3	107.5483	0.034	3	107.5483	0.034	3	107.9604	1.194	330	109.3379	1.532	2978