466	951	952	0:SP3_SP-NON_SP3	C[6,6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[3x6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H)	H(C[6,6]C[3x6]C[6,6]S)	S(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(SC[6a]OO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]S)	S(C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(O)2	107.6070	0.000	1	107.6070	0.000	1	107.6070	0.000	1	106.0726	0.887	5	106.3212	1.081	6	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6,6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:	C[6,6]-4:C[6a]-3:O-1:O-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H)	H(C[6,6]C[6,6]2S)	S(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)2	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SC[6a]OO)(H){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2S)	S(C[6,6]C[6,6]2H)(C[6a]C[6a]2)(O)2	105.6890	0.450	4	105.6890	0.202	4	105.6890	0.202	4	106.0726	0.887	5	106.3212	1.081	6	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6,6]	H	S	4:4:4:1:	4:	4:4:1:1:	C[6,6]-4:C[6,6]-4:S-4:H-1:	C[6,6]-4:	C[6,6]-4:C-4:O-1:O-1:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H)	H(C[6,6]C[6,6]2S)	S(C[6,6]C[6,6]2H)(CH3)(O)2	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]O[6]H)(SCOO)(H){2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2S)	S(C[6,6]C[6,6]2H)(CH3)(O)2	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	106.3212	1.081	6	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	3:3:4:1:	4:	4:3:1:1:	C[6,6a]-3:C[6]-3:S-4:H-1:	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)	H(C[6]C[6,6a]C[6]S)	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>}	H(C[6]C[6,6a]C[6]S)	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)2	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	3:4:4:1:	4:	3:4:1:1:	C[6]-3:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.9700	0.000	1	107.9700	0.000	1	107.5415	0.106	4	107.5415	0.106	4	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	3:4:4:1:	4:	3:4:1:1:	C[6]-3:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.3987	0.192	3	107.3987	0.037	3	107.5415	0.106	4	107.5415	0.106	4	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	3:4:4:1:	4:	4:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[5,6]S)	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>}	H(C[6]C[6,6a]C[5,6]S)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	108.4885	0.151	2	108.1453	0.168	4	108.1453	0.168	4	107.1348	5.231	5	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	3:4:4:1:	4:	4:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[5,6]S)	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>}	H(C[6]C[6,6a]C[5,6]S)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	107.8020	0.096	2	108.1453	0.168	4	108.1453	0.168	4	107.1348	5.231	5	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	3:4:4:1:	4:	4:3:1:1:	C[6,6a]-3:C[6]-4:S-4:H-1:	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)	H(C[6]C[6,6a]C[6]S)	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>}	H(C[6]C[6,6a]C[6]S)	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)2	103.0930	0.000	1	103.0930	0.000	1	103.0930	0.000	1	107.1348	5.231	5	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:2:4:1:	4:	4:3:1:1:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H)	H(C[6]C[6]O[6]S)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6]C[6]HH)(O[6]C[6,6])(SC[6a]OO)(H){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]S)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	107.3110	2.513	4	107.3110	6.315	4	107.3110	6.315	4	107.3110	6.315	4	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:2:4:1:	4:	4:4:2:1:	C[6]-4:O[6]-2:S-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:N-2:O-1:	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H)	H(C[6]C[6]O[6]S)	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(SC[6]NO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]S)	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.3510	0.000	1	108.3510	0.000	1	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.9290	0.000	1	107.1010	0.059	2	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.2730	0.000	1	107.1010	0.059	2	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.3340	0.000	1	107.5240	0.072	2	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.7140	0.000	1	107.5240	0.072	2	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.7180	0.000	1	107.5903	0.574	3	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.0265	0.080	2	107.5903	0.574	3	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){1|N<2>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.0380	0.000	1	107.7973	0.919	6	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(SC[6a]OO)(H){4|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.7492	1.063	5	107.7973	0.919	6	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(SC[6a]OO)(H){4|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	93.7951	0.000	1	93.7951	0.000	1	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]O[6]HH)(C[6]C[6]C)(SC[6a]OO)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.9730	0.000	1	106.9730	0.000	1	106.7453	12.431	16	106.7453	12.431	16	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	4:3:1:1:	C[5,6]-4:C[6,6a]-3:S-4:H-1:	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)	H(C[6]C[6,6a]C[5,6]S)	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>}	H(C[6]C[6,6a]C[5,6]S)	S(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O)2	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	107.8550	0.110	4	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	4:3:1:1:	C[5,6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6]C[5,6]C[6]S)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]S)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	107.9070	0.000	1	107.9070	0.000	1	107.9070	0.000	1	107.8550	0.110	4	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	4:3:1:1:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6]C[6,6]C[6]S)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]S)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	107.5830	0.000	1	107.5830	0.000	1	107.6045	0.001	2	107.8550	0.110	4	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	4:3:1:1:	C[6,6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H)	H(C[6]C[6,6]C[6]S)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(SC[6a]OO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]S)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	107.6260	0.000	1	107.6260	0.000	1	107.6045	0.001	2	107.8550	0.110	4	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	4:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CC[6a]HH)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SCOO)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CC[6a]HH)(O)2	107.4260	0.031	2	107.4260	0.001	2	104.9283	7.904	11	104.9283	7.904	11	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	4:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CCHH)(O)2	C[6](C[6]C[6]BrC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CCHH)(O)2	101.3440	0.819	2	101.3440	0.670	2	104.9283	7.904	11	104.9283	7.904	11	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	4:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CCHH)(O)2	C[6](C[6]C[6]CC)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CCHH)(O)2	104.8758	2.608	6	104.8758	6.799	6	104.9283	7.904	11	104.9283	7.904	11	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:3:4:1:	4:	4:4:1:1:	C[6]-4:C[6]-3:S-4:H-1:	C[6]-4:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CCHH)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]H)(SCOO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CCHH)(O)2	107.4160	0.000	1	107.4160	0.000	1	104.9283	7.904	11	104.9283	7.904	11	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:2:1:	4:	4:3:1:1:	C[6]-4:S-4:O[6]-2:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H)	H(C[6]C[6]O[6]S)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6]C[6]HO)(SC[6a]OO)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]S)	S(C[6]C[6]O[6]H)(C[6a]C[6a]2)(O)2	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[5a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[5a]OO)(H)	H(C[6]C[6]2S)	S(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)2(SC[5a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	S(C[5a]C[5a,6a]C[5a])(C[6]C[6]2H)(O)2	107.7793	0.437	8	107.7793	0.191	8	107.7793	0.191	8	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<4>,4|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.9440	0.000	1	106.9440	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.9471	0.579	9	107.6076	0.627	16	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.2380	0.000	2	107.6076	0.627	16	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)(H){5|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.7442	0.541	5	107.6076	0.627	16	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.0090	0.000	1	108.0090	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]HO)(C[6]O[6]CH)(SC[6a]OO)(H){2|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.1605	0.207	2	107.1605	0.043	2	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.2780	0.837	2	108.2780	0.701	2	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.7440	0.000	1	106.7440	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(SC[6a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.9230	0.000	1	106.9230	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.0250	0.000	1	108.0250	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.7900	0.000	1	106.7900	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)2(SC[6a]OO)(H){2|C<3>,2|N<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	99.7889	0.000	1	99.7889	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(SC[6a]OO)(H){2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.3235	0.251	2	108.3235	0.063	2	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	109.3700	0.000	1	109.3700	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	108.0770	0.000	1	108.0770	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.3450	0.000	1	107.3450	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	106.2580	0.000	1	106.2580	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.5770	0.000	1	106.1420	4.118	2	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	104.7070	0.000	1	106.1420	4.118	2	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.0602	0.252	4	107.0602	0.064	4	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.2290	0.000	1	107.2290	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	3:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	C[6](C[6]O[6]SeH)(C[6]C[6]HH)(SC[6a]OO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2S)	S(C[6a]C[6a]2)(C[6]C[6]2H)(O)2	107.4780	0.000	1	107.4780	0.000	1	107.2866	2.182	41	107.3670	1.880	49	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:1:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:F-1:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(F)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SFOO)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(F)(O)2	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H)	H(C[6]C[3x6]C[6]S)	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]S)	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	104.4510	0.000	3	104.4510	0.000	3	103.4237	4.221	4	106.2893	5.918	12	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[3x6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H)	H(C[6]C[3x6]C[6]S)	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(SC[6a]OO)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]S)	S(C[6]C[3x6]C[6]H)(C[6a]C[6a]2)(O)2	100.3420	0.000	1	100.3420	0.000	1	103.4237	4.221	4	106.2893	5.918	12	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H)	H(C[6]C[5,6]C[6]S)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]O[6]HH)(SC[6a]OO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]S)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	107.4550	0.000	1	107.4550	0.000	1	107.8515	0.314	2	106.2893	5.918	12	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[5,6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H)	H(C[6]C[5,6]C[6]S)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(SC[6a]OO)(H){3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]S)	S(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(O)2	108.2480	0.000	1	108.2480	0.000	1	107.8515	0.314	2	106.2893	5.918	12	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H)	H(C[6]C[6,6]C[6]S)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(SC[6a]OO)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]S)	S(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(O)2	107.8600	1.472	2	107.8600	2.167	2	107.8600	2.167	2	106.2893	5.918	12	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C-3:O-1:O-1:	C[6](C[6]C[6]HH)2(SCOO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CCH)(O)2	C[6](C[6]C[6]HH)2(SCOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CCH)(O)2	107.7330	0.206	2	107.7330	0.043	2	107.7330	0.043	2	106.2893	5.918	12	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:N-3:O-1:O-1:	C[6](C[6]C[6]HH)2(SNOO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(NCH)(O)2	C[6](C[6]C[6]HH)2(SNOO)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(NCH)(O)2	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	106.2893	5.918	12	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:3:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:N[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)2(SN[6]OO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(N[6]C[6]2)(O)2	C[6](C[6]C[6]HH)2(SN[6]OO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(N[6]C[6]2)(O)2	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	106.2893	5.918	12	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:4:1:1:	C[3,6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C-4:O-1:O-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H)	H(C[6]C[3,6]C[6]S)	S(C[6]C[3,6]C[6]H)(CCHH)(O)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H){1|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]S)	S(C[6]C[3,6]C[6]H)(CCHH)(O)2	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	107.2095	0.276	2	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CH3)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2S)	S(C[6]C[6]2H)(CH3)(O)2	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	107.2095	0.276	2	106.9960	4.950	112	106.9617	4.764	118
466	951	952	0:SP3_SP-NON_SP3	C[6]	H	S	4:4:4:1:	4:	4:4:2:1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:N-2:O-1:	C[6](C[6]C[6]HH)2(SC[6]NO)(H)	H(C[6]C[6]2S)	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	C[6](C[6]C[6]HH)2(SC[6]NO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2S)	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	106.9960	4.950	112	106.9617	4.764	118
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5,6]	4:3:1:1:	4:	3:4:4:1:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6]-4:S-1:	C[6](P[5,6]C[5,6a]C[5,6]S)(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(S)	C[6](P[5,6]C[5,6a]C[5,6]S)(C[6]C[6]C)(H)2{1|H<1>,1|S<2>,2|C<3>,2|C<4>}	H(C[6]P[5,6]C[6]H)	P[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5]H)(C[6]C[6]HH)(S){1|C<4>,3|C<3>,3|H<1>}	109.7475	0.023	2	109.7475	0.001	2	109.7475	0.001	2	109.7475	0.001	2	109.1363	2.779	15	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5,6]	4:3:1:1:	4:	4:4:2:1:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[5,6]-4:C[6]-4:O[5]-2:S-1:	C[6](P[5,6]C[5,6]O[5]S)(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(S)	C[6](P[5,6]C[5,6]O[5]S)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]P[5,6]C[6]H)	P[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(S){1|C<4>,3|H<1>,4|C<3>}	109.3030	0.006	2	109.3030	0.000	2	109.3030	0.000	2	109.3030	0.000	2	109.1363	2.779	15	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5,6]	4:3:1:1:	4:	4:4:4:3:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[6](P[5,6]C[5]2N[6])(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	P[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]Si)	C[6](P[5,6]C[5]2N[6])(C[6]C[6]C)(H)2{1|Si<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[5,6]C[6]H)	P[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]Si){1|C<3>,2|H<1>,3|C<4>}	109.9340	0.047	5	109.9340	0.002	5	109.9340	0.002	5	109.9340	0.002	5	109.1363	2.779	15	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5,6]	4:4:1:1:	4:	4:3:4:4:	P[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2	H(C[6]P[5,6]C[6]H)	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2{1|B<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]P[5,6]C[6]H)	P[5,6](C[5,6]B[5]O[6]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){1|B<3>,2|C<4>,4|C<3>,4|H<1>}	109.4005	0.016	2	109.4005	0.000	2	109.4005	0.000	2	109.4005	0.000	2	109.1363	2.779	15	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5,6]	4:4:1:1:	4:	4:4:4:1:	P[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[5,6]-4:C[5]-4:C[6]-4:S-1:	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	H(C[6]P[5,6]C[6]H)	P[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(S)	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]P[5,6]C[6]H)	P[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)(S){1|C<4>,8|H<1>}	107.6182	2.918	4	107.6182	8.516	4	107.6182	8.516	4	107.6182	8.516	4	109.1363	2.779	15	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5]	4:4:4:1:	4:	3:3:4:1:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[5,6a]-3:C[5]-3:C[6]-4:O-1:	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]2P[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(O)	C[6](P[5]C[5,6a]C[5]O)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2P[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(O){3|C<4>,4|C<3>,5|H<1>}	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.1879	0.683	19	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5]	4:4:4:1:	4:	3:3:4:4:	C[6]-4:C[6]-4:P[5]-4:H-1:	C[6]-4:	P[5]-3:P[5]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(P[5]P[5]2C)(H)	H(C[6]C[6]2P[5])	P[5](P[5]C[6]P[5])2(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(P[5]P[5]2C)(H){1|P<3>,1|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2P[5])	P[5](P[5]C[6]P[5])2(C[6]C[6]2H)(CH3){6|H<1>,9|C<4>}	107.3810	0.000	1	107.3810	0.000	1	107.3810	0.000	1	107.3810	0.000	1	107.1879	0.683	19	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5]	4:4:4:1:	4:	3:4:4:4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[5,6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[6](P[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2P[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[6]C[6]2H)2	C[6](P[5]C[5,6a]C[5]C[6])(C[6]C[6]HH)2(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2P[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[6]C[6]2H)2{3|C<3>,4|C<4>,9|H<1>}	107.1130	0.948	2	107.1130	0.898	2	107.1130	0.898	2	107.1130	0.898	2	107.1879	0.683	19	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5]	4:4:4:1:	4:	4:4:3:3:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:C[5]-3:C[5]-3:	C[6](P[5]C[5]2C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2P[5])	P[5](C[6]C[6]2H)2(C[5]C[5]H)2	C[6](P[5]C[5]2C[6])(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2P[5])	P[5](C[6]C[6]2H)2(C[5]C[5]H)2{5|C<4>,9|H<1>}	108.0670	0.170	2	108.0670	0.029	2	108.0670	0.029	2	107.6230	0.282	4	107.1879	0.683	19	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5]	4:4:4:1:	4:	4:4:3:3:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:P[5]-3:P[5]-3:	C[6](P[5]C[6]P[5]2)(C[6]C[6]HH)2(H)	H(C[6]C[6]2P[5])	P[5](C[6]C[6]2H)2(P[5]P[5]Co)2	C[6](P[5]C[6]P[5]2)(C[6]C[6]HH)2(H){1|Co<6>,2|P<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2P[5])	P[5](C[6]C[6]2H)2(P[5]P[5]Co)2{4|C<4>,8|H<1>}	107.1790	0.168	2	107.1790	0.028	2	107.1790	0.028	2	107.6230	0.282	4	107.1879	0.683	19	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5]	4:4:4:1:	4:	4:4:4:4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2P[5])	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H){1|Br<1>,1|P<4>,4|C<4>,8|H<1>}	H(C[6]C[6]2P[5])	P[5](B[5]P[5]BrH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	107.3110	0.891	7	107.3110	0.794	7	107.0031	0.930	11	107.0031	0.930	11	107.1879	0.683	19	108.0475	2.515	34
466	951	955	0:SP3_SP-NON_SP3	C[6]	H	P[5]	4:4:4:1:	4:	4:4:4:4:	P[5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	B[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H)	H(C[6]C[6]2P[5])	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2	C[6](P[5]B[5]C[5]C[6])(C[6]C[6]HH)2(H){1|P<4>,4|C<4>,9|H<1>}	H(C[6]C[6]2P[5])	P[5](B[5]P[5]HH)(C[5]C[5]HH)(C[6]C[6]2H)2{10|H<1>,6|C<4>}	106.4642	0.951	4	106.4642	0.904	4	107.0031	0.930	11	107.0031	0.930	11	107.1879	0.683	19	108.0475	2.515	34
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(O)2	108.6925	0.223	2	108.6925	0.050	2	108.6925	0.050	2	107.2877	6.271	7	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	H(C[6,6]C[5,3x6]C[6,6]N)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]N)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	108.0180	0.000	1	108.2305	0.090	2	108.2305	0.090	2	107.2877	6.271	7	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	H(C[6,6]C[5,3x6]C[6,6]N)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]N)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	108.4430	0.000	1	108.2305	0.090	2	108.2305	0.090	2	107.2877	6.271	7	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	H(C[6,6]C[5,4x6]C[6,6]N)	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[5,4x6]C[6,6]N)	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	101.6930	0.000	1	101.6930	0.000	1	101.6930	0.000	1	107.2877	6.271	7	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(O)2	107.9030	0.000	1	107.7375	0.055	2	107.7375	0.055	2	107.2877	6.271	7	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:O-1:O-1:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(O)2	107.5720	0.000	1	107.7375	0.055	2	107.7375	0.055	2	107.2877	6.271	7	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:3:1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CCO)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CCO)(H)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.9988	0.140	10	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:3:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	107.9505	0.029	2	107.9505	0.001	2	108.1049	0.104	8	107.9988	0.140	10	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:3:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H)	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H){2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	108.1563	0.364	6	108.1563	0.132	6	108.1049	0.104	8	107.9988	0.140	10	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:3:1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C-3:H-1:	C[6,6](C[6,6]C[6]2H)2(NCH)(H)	H(C[6,6]C[6,6]2N)	N(C[6,6]C[6,6]2H)(COO)(H)	C[6,6](C[6,6]C[6]2H)2(NCH)(H){1|N<3>,1|S<4>,8|H<1>}	H(C[6,6]C[6,6]2N)	N(C[6,6]C[6,6]2H)(COO)(H)	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	107.9988	0.140	10	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:3:2:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C[6a]-3:C-2:	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	108.7615	0.199	2	108.7615	0.039	2	108.7615	0.039	2	108.7615	0.039	2	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:3:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C-3:C-4:	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H){2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:4:3:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C[5]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H){2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	107.3975	0.349	2	107.3975	0.122	2	106.1720	2.049	4	106.1720	2.049	4	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6,6]	H	N	4:4:3:1:	4:	4:4:3:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C[5]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CRhN)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H){2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CRhN)	104.9465	0.138	2	104.9465	0.019	2	106.1720	2.049	4	106.1720	2.049	4	107.5520	2.536	24	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	2:4:3:1:	4:	4:3:1:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	2:4:3:1:	4:	4:3:3:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	106.5160	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:2:3:1:	4:	4:3:1:	C[6]-3:N[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H)	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(COO)(H)	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(COO)(H)	107.9540	0.000	1	107.9540	0.000	1	107.9540	0.000	1	107.5470	0.331	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:2:3:1:	4:	4:3:1:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H){1|C<3>,2|C<4>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	107.5470	0.331	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:2:3:1:	4:	4:4:4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:1:1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]H)2(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]H)2(NOO)(H){1|C<3>,2|N<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	26.6702	0.000	1	26.6702	0.000	1	26.6702	0.000	1	26.6702	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	H(C[6]C[6,6a]2N)	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>}	H(C[6]C[6,6a]2N)	N(C[6]C[6,6a]2H)(CCO)(H)	107.8115	0.926	6	107.8115	0.858	6	107.5094	0.938	8	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	H(C[6]C[6,6a]2N)	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>}	H(C[6]C[6,6a]2N)	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	106.3950	0.000	1	106.3950	0.000	1	107.5094	0.938	8	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	H(C[6]C[6,6a]2N)	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>}	H(C[6]C[6,6a]2N)	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	106.8110	0.000	1	106.8110	0.000	1	107.5094	0.938	8	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	H(C[6]C[6,6a]2N)	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>}	H(C[6]C[6,6a]2N)	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	107.4290	0.000	1	107.4290	0.000	1	107.4290	0.000	1	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(COO)(H)	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	107.2650	0.000	1	107.2650	0.000	1	107.2650	0.000	1	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]N[6,6]N)	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>}	H(C[6]C[6,6a]N[6,6]N)	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	108.0155	0.121	2	108.0155	0.015	2	108.0155	0.015	2	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	107.2610	0.000	1	107.2610	0.000	1	107.6753	0.165	3	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(CCO)(H)	108.0740	0.000	1	108.0740	0.000	1	107.6753	0.165	3	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	107.6910	0.000	1	107.6910	0.000	1	107.6753	0.165	3	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	N[6]-3:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(COO)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(COO)(H)	109.2200	0.000	1	109.2200	0.000	1	108.3820	1.404	2	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:1:	N[6]-3:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(COO)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(COO)(H)	107.5440	0.000	1	107.5440	0.000	1	108.3820	1.404	2	107.6524	0.604	18	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:2:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	106.0740	0.000	1	106.0740	0.000	1	106.4175	0.236	2	106.4175	0.236	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:2:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	106.7610	0.000	1	106.7610	0.000	1	106.4175	0.236	2	106.4175	0.236	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:4:	C[6,6a]-3:C[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	108.4800	4.743	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:3:4:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	108.4800	4.743	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:4:1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]N[6,6]N)	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>}	H(C[6]C[6,6a]N[6,6]N)	N(C[6]C[6,6a]N[6,6]H)(SC[6a]OO)(H)	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.1120	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:4:3:	C[6,6a]-3:C[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	108.1810	5.658	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:4:3:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	106.4990	0.000	1	106.4990	0.000	1	106.4990	0.000	1	108.1810	5.658	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:4:4:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(CH3)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(CH3)	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	108.3750	1.195	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:3:3:1:	4:	4:4:4:	N[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H)	H(C[6]N[5a,6]C[6]N)	N(C[6]N[5a,6]C[6]H)(SC[6a]OO)(CCCH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]N[5a,6]C[6]N)	N(C[6]N[5a,6]C[6]H)(SC[6a]OO)(CCCH)	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	108.3750	1.195	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:2:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:N-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(NC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NHN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(NC)(H)	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	108.2045	1.081	2	108.2045	1.169	2	108.2045	1.169	2	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(CCO)(H)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(CCO)(H)	107.5700	0.000	1	107.5700	0.000	1	107.5700	0.000	1	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	107.2435	0.274	2	107.2435	0.075	2	107.2435	0.075	2	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[5,6]N)	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>}	H(C[6]C[6,6a]C[5,6]N)	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[6,6]N)	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>}	H(C[6]C[6,6a]C[6,6]N)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	106.6640	0.000	1	106.6640	0.000	1	106.6640	0.000	1	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	108.6130	0.000	1	108.6130	0.000	1	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	107.2785	0.384	2	107.2785	0.147	2	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	106.9900	0.000	1	106.9900	0.000	1	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(COO)(H)	107.0040	0.075	2	107.0040	0.006	2	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	107.5050	0.000	1	107.5050	0.000	1	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	107.4775	0.227	2	107.4775	0.052	2	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	107.3780	0.204	3	107.3780	0.042	3	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(COO)(H)	107.0960	0.000	1	107.0960	0.000	1	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	105.6600	0.000	1	105.6600	0.000	1	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(COO)(H)	107.7480	0.000	1	107.7480	0.000	1	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(COO)(H)	106.3770	0.000	1	106.3770	0.000	1	107.2277	0.407	16	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	107.6190	0.000	1	108.1300	1.064	3	107.8588	0.878	5	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	108.3855	1.317	2	108.1300	1.064	3	107.8588	0.878	5	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	106.8070	0.000	1	107.4520	0.832	2	107.8588	0.878	5	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	108.0970	0.000	1	107.4520	0.832	2	107.8588	0.878	5	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	107.4530	0.000	1	107.4530	0.000	1	108.0020	0.603	2	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	108.5510	0.000	1	108.5510	0.000	1	108.0020	0.603	2	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHO)(H)	107.4180	0.000	1	107.4180	0.000	1	107.4013	1.269	9	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	106.1310	0.000	1	106.1310	0.000	1	107.4013	1.269	9	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	107.5100	0.000	1	107.5100	0.000	1	107.4013	1.269	9	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	105.8510	0.000	1	105.8510	0.000	1	107.4013	1.269	9	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.6380	0.000	1	108.6380	0.000	1	107.4013	1.269	9	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.2600	0.153	2	108.2600	0.023	2	107.4013	1.269	9	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.5100	0.000	1	108.5100	0.000	1	107.4013	1.269	9	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H){1|B<3>,1|N<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	106.0340	0.000	1	106.0340	0.000	1	107.4013	1.269	9	107.4454	0.671	40	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:3:3:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	103.9370	0.000	1	103.9370	0.000	1	103.9370	0.000	1	103.9370	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	108.3310	1.350	5	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(PC[6a]2S)(H)	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	108.3310	1.350	5	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	107.0500	0.000	1	107.0500	0.000	1	107.9640	1.671	2	108.3310	1.350	5	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SO3)(H)	108.8780	0.000	1	108.8780	0.000	1	107.9640	1.671	2	108.3310	1.350	5	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(NHS)(H){2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCOO)(H)	108.7640	0.000	1	108.7640	0.000	1	108.7640	0.000	1	108.3310	1.350	5	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:4:3:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	106.1240	0.049	2	106.1240	0.002	2	106.1240	0.002	2	106.1240	0.002	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	3:4:3:1:	4:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	105.3765	0.639	2	105.3765	0.408	2	105.3765	0.408	2	105.3765	0.408	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	3:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]O[6]N)	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]N)	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	107.2950	0.000	1	107.2950	0.000	1	108.7350	1.660	3	108.7350	1.660	3	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	3:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]O[6]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]N)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	109.4550	0.458	2	109.4550	0.210	2	108.7350	1.660	3	108.7350	1.660	3	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(H)2	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	108.4630	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:2:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:S-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SC[6a])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SC[6a])(H)	103.4690	0.000	1	103.4690	0.000	1	103.4690	0.000	1	103.4690	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	108.0440	0.000	1	108.2070	1.368	5	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	108.2477	1.346	4	108.2070	1.368	5	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	109.1920	0.000	1	109.1920	0.000	1	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	109.1570	0.000	1	109.1570	0.000	1	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCO)(H)	108.7797	1.493	3	108.7797	2.228	3	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CNO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CNO)(H)	109.7620	0.000	1	109.7620	0.000	1	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CNS)(H)	110.0035	0.111	2	109.1830	1.652	5	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CNS)(H)	108.6360	1.475	3	109.1830	1.652	5	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(COO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(COO)(H)	109.0300	0.000	1	109.0300	0.000	1	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(COS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(COS)(H)	109.2970	0.000	1	109.2970	0.000	1	108.8737	1.202	18	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	108.9900	0.000	1	108.7507	0.050	3	109.3851	1.320	7	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	108.6310	0.115	2	108.7507	0.050	3	109.3851	1.320	7	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	111.8780	0.000	1	111.8780	0.000	1	109.3851	1.320	7	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	109.1887	0.374	3	109.1887	0.140	3	109.3851	1.320	7	109.0169	1.236	25	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:3:3:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	109.2413	0.066	3	109.2413	0.004	3	109.2413	0.004	3	109.2413	0.004	3	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	108.9320	0.000	1	108.9320	0.000	1	108.9320	0.000	1	109.1560	0.100	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SCOO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SCOO)(H)	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.1560	0.100	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:2:3:1:	4:	4:4:3:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	106.7170	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	3:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.1200	0.000	1	108.1200	0.000	1	108.0715	0.005	2	108.0715	0.005	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	3:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	108.0230	0.000	1	108.0230	0.000	1	108.0715	0.005	2	108.0715	0.005	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	3:4:2:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:O-2:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	3:4:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	106.4480	1.915	5	106.4480	3.668	5	106.4480	3.668	5	106.4480	3.668	5	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	3:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	106.9260	0.085	2	106.9260	0.007	2	107.2257	0.273	3	107.2257	0.273	3	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	3:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	107.8250	0.000	1	107.8250	0.000	1	107.2257	0.273	3	107.2257	0.273	3	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.1450	0.000	1	108.1450	0.000	1	108.2400	0.037	6	108.2400	0.037	6	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.2912	0.226	4	108.2912	0.051	4	108.2400	0.037	6	108.2400	0.037	6	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.1300	0.000	1	108.1300	0.000	1	108.2400	0.037	6	108.2400	0.037	6	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	107.7190	0.000	1	107.7190	0.000	1	107.8710	0.048	3	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	108.1220	0.000	1	108.1220	0.000	1	107.8710	0.048	3	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(COO)(H)	107.7720	0.000	1	107.7720	0.000	1	107.8710	0.048	3	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	106.2520	0.000	1	106.2520	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H){1|Fe<10>,2|H<1>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	106.0180	0.000	1	106.0180	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	107.4530	0.000	1	107.4530	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	107.6980	0.000	1	107.6980	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	105.3760	0.000	1	105.3760	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H){5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	106.3130	0.000	1	106.3130	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	107.6580	0.000	1	107.6580	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	106.9400	0.000	1	106.9400	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	107.3735	0.323	2	107.3735	0.104	2	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	108.3780	0.000	1	108.3780	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H){1|C<3>,1|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.3530	0.000	1	108.3530	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.9585	0.330	2	108.9585	0.109	2	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	106.2605	5.706	2	106.4866	10.262	5	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	108.8810	0.000	1	106.4866	10.262	5	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	104.8940	0.000	1	106.4866	10.262	5	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	106.1370	0.000	1	106.4866	10.262	5	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	107.1220	0.000	1	107.1220	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	106.5580	0.000	1	106.6115	0.006	2	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|N<2>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	106.6650	0.000	1	106.6115	0.006	2	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.8970	0.290	2	107.8970	0.084	2	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.3503	0.713	3	108.3503	0.509	3	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	109.1100	0.000	1	109.1100	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.4120	0.000	1	107.4120	0.000	1	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	105.9240	0.461	2	105.9240	0.213	2	107.2612	2.452	31	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(CCO)(H)	107.9320	0.280	2	107.9320	0.078	2	107.9320	0.078	2	107.3492	2.156	36	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:3:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)2	106.2100	0.000	1	106.2100	0.000	1	106.2100	0.000	1	106.2100	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[6,6]N)	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>}	H(C[6]C[6,6a]C[6,6]N)	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	105.5630	0.000	1	105.5630	0.000	1	105.5630	0.000	1	105.5630	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:4:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]HH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]HH)(COO)	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	108.1760	0.087	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:4:3:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	108.1760	0.087	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	105.5355	1.328	4	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:3:3:1:	4:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NSS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)2	104.9657	0.208	3	104.9657	0.043	3	104.9657	0.043	3	105.5355	1.328	4	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]2)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6a]2)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.7050	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	108.4380	0.167	2	108.4380	0.028	2	108.5008	0.127	6	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)(H)	108.6740	0.000	1	108.6740	0.000	1	108.5008	0.127	6	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	108.4850	0.533	3	108.4850	0.284	3	108.5008	0.127	6	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[4a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[4a]H)(H)	H(C[6]C[6]2N)	N(C[4a]C[4a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[4a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[4a]C[4a]2)(C[6]C[6]2H)(H)	107.0150	0.000	1	107.0150	0.000	1	107.0150	0.000	1	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	108.5725	0.161	2	108.5725	0.026	2	108.4237	0.108	7	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)(H)	108.0620	0.000	1	108.0620	0.000	1	108.4237	0.108	7	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]N[5]O[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5]N[5]O[5])(C[6]C[6]2H)(H)	108.7710	0.100	2	108.7710	0.010	2	108.4237	0.108	7	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]N[5]S[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5]N[5]S[5])(C[6]C[6]2H)(H)	108.1110	0.000	1	108.1110	0.000	1	108.4237	0.108	7	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5]-3:C[6]-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	108.1060	0.000	1	108.1060	0.000	1	108.4237	0.108	7	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)	108.7170	0.000	1	108.7170	0.000	1	107.8906	0.321	8	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)(H)	107.8400	0.434	2	107.8400	0.188	2	107.8906	0.321	8	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	107.4497	0.494	3	107.4497	0.244	3	107.8906	0.321	8	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]N[5a]O[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]N[5a]O[5a])(C[6]C[6]2H)(H)	108.4350	0.000	1	108.4350	0.000	1	107.8906	0.321	8	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]N[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]N[5a]S[5a])(C[6]C[6]2H)(H)	107.9440	0.000	1	107.9440	0.000	1	107.8906	0.321	8	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	108.8150	0.000	1	108.8150	0.000	1	108.7105	0.022	2	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	108.6060	0.000	1	108.6060	0.000	1	108.7105	0.022	2	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.0560	0.000	1	108.0560	0.000	1	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H){2|C<3>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	109.0540	0.000	1	109.0540	0.000	1	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	106.3660	0.161	4	106.3660	0.026	4	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	108.8990	0.635	2	108.8990	0.403	2	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.1385	0.090	2	108.1385	0.008	2	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.2465	0.033	2	108.2465	0.001	2	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	108.9830	0.000	1	108.9830	0.000	1	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	109.6970	0.000	1	109.6970	0.000	1	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	109.0160	0.025	2	109.0160	0.001	2	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.4680	0.000	1	108.7482	0.344	13	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.5644	0.397	7	108.7482	0.344	13	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	109.8800	0.212	2	108.7482	0.344	13	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.5120	0.000	1	108.7482	0.344	13	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|O<2>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.5175	0.319	2	108.7482	0.344	13	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	108.6483	0.461	3	108.6483	0.212	3	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	108.1327	0.156	3	108.2742	0.050	5	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	108.4600	0.000	1	108.2742	0.050	5	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<4>,4|C<4>}	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	108.5130	0.000	1	108.2742	0.050	5	108.4026	0.768	37	108.3349	0.587	61	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[4a]-3:C[6]-4:O-2:	C[6](C[6]C[6]HH)2(NC[4a]O)(H)	H(C[6]C[6]2N)	N(C[4a]C[4a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(NC[4a]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[4a]C[4a]2)(C[6]C[6]2H)(OH)	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	107.5400	0.000	1	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	106.0090	0.000	1	106.0090	0.000	1	107.1511	0.388	14	107.1511	0.388	14	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	106.3947	0.262	3	106.3947	0.069	3	107.1511	0.388	14	107.1511	0.388	14	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	107.2453	0.029	3	107.4922	0.080	10	107.1511	0.388	14	107.1511	0.388	14	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	107.3395	0.235	2	107.4922	0.080	10	107.1511	0.388	14	107.1511	0.388	14	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	107.7014	0.233	5	107.4922	0.080	10	107.1511	0.388	14	107.1511	0.388	14	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[5]C)(H)	H(C[6]C[6]2N)	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[5]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	106.6300	0.000	1	106.6300	0.000	1	106.6300	0.000	1	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NC[5a]S)(H)	H(C[6]C[6]2N)	N(C[5a]C[5a]O[5a])(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(NC[5a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]C[5a]O[5a])(C[6]C[6]2H)(SCOO)	107.5290	0.129	2	107.5290	0.017	2	107.5290	0.017	2	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	107.1580	0.000	1	107.1580	0.000	1	107.0957	0.173	12	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	106.7320	0.000	1	106.7320	0.000	1	107.0957	0.173	12	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	107.4340	0.000	1	107.4340	0.000	1	107.0957	0.173	12	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	106.6670	0.000	1	106.6670	0.000	1	107.0957	0.173	12	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	106.2940	0.000	1	106.2940	0.000	1	107.0957	0.173	12	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	107.2661	0.323	7	107.2661	0.105	7	107.0957	0.173	12	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H)	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)2	106.0048	0.811	4	106.0048	0.659	4	106.0048	0.659	4	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:S-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	108.4860	0.000	1	108.4860	0.000	1	107.9915	0.489	2	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	107.4970	0.000	1	107.4970	0.000	1	107.9915	0.489	2	106.9597	0.553	22	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	102.8510	0.000	1	102.8510	0.000	1	107.8644	2.373	14	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	109.3410	0.000	1	109.3410	0.000	1	107.8644	2.373	14	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	108.6830	0.000	1	108.6830	0.000	1	107.8644	2.373	14	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	108.0396	0.158	5	108.0634	0.029	7	107.8644	2.373	14	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	108.1230	0.255	2	108.0634	0.029	7	107.8644	2.373	14	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	108.1750	0.528	2	108.1750	0.278	2	107.8644	2.373	14	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	109.1370	0.000	1	109.1370	0.000	1	107.8644	2.373	14	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(O)2	107.2960	0.000	1	107.2960	0.000	1	107.8644	2.373	14	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H)	H(C[6]C[6,6]2N)	N(C[6]C[6,6]2H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]2N)	N(C[6]C[6,6]2H)(O)2	108.0990	0.000	1	108.0990	0.000	1	108.0990	0.000	1	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	106.4195	3.577	2	106.4195	12.797	2	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	108.1075	0.067	2	108.1075	0.005	2	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	107.2650	0.000	1	107.2650	0.000	1	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	107.9710	0.000	1	108.2310	0.135	2	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	108.4910	0.000	1	108.2310	0.135	2	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	108.6940	0.000	1	108.6940	0.000	1	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	108.0280	0.177	2	108.0280	0.031	2	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	108.2510	0.000	1	108.2510	0.000	1	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	107.9030	0.240	3	107.9894	0.074	5	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	107.8670	0.000	1	107.9894	0.074	5	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){7|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	108.3710	0.000	1	107.9894	0.074	5	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){2|C<4>,6|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	110.1485	0.394	2	110.1485	0.155	2	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	109.2140	0.437	2	109.2140	0.191	2	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	109.1860	0.000	1	109.1860	0.000	1	108.2686	1.595	21	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6,6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H){2|C<4>,3|C<3>,8|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(O)2	107.5670	0.000	1	107.5670	0.000	1	107.5670	0.000	1	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	108.8903	0.099	3	108.8903	0.010	3	108.8903	0.010	3	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.5780	0.000	1	109.5780	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.0370	0.000	1	109.0370	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.3220	0.000	1	109.3220	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.9980	0.000	1	107.9980	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.2167	0.335	3	109.2167	0.112	3	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.7210	0.460	5	107.9657	0.287	8	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.8860	0.000	1	107.9657	0.287	8	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,7|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.6175	0.059	2	107.9657	0.287	8	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H){2|C<4>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	110.0630	0.000	1	110.0630	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.9650	0.085	2	107.9650	0.007	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.6640	0.000	1	108.6640	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.1190	0.000	1	108.1190	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.4060	0.000	1	107.4060	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.3140	0.000	1	107.3140	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.2750	0.082	2	109.2750	0.007	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.5180	0.000	1	108.5180	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.7088	0.386	4	108.7088	0.149	4	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.5030	0.000	1	107.5030	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	106.1660	2.779	3	106.1660	7.723	3	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.6213	0.560	3	109.6213	0.314	3	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.8915	0.950	4	108.8915	0.903	4	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.5535	0.264	2	109.5535	0.070	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.8890	0.000	1	108.8890	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H){1|H<1>,6|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.8160	0.000	1	107.8160	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.1013	0.079	3	108.1013	0.006	3	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.5860	0.000	1	107.6785	0.017	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.7710	0.000	1	107.6785	0.017	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.7700	0.000	1	107.7700	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	101.1940	0.000	1	101.1940	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.7940	0.000	1	108.7940	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	104.7330	0.000	1	104.7330	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HO)2(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HO)2(NOO)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.8800	0.000	1	108.8800	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.5510	0.000	1	109.5510	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H){1|H<1>,5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.3810	0.000	1	109.3810	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.5170	0.000	1	109.5170	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.2310	3.178	2	107.2310	10.098	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	104.2795	4.276	3	104.2795	18.280	3	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.3170	0.000	1	107.9394	0.052	5	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.8450	0.097	4	107.9394	0.052	5	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.1190	0.000	1	109.1190	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	103.8050	0.000	1	106.4030	13.499	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.0010	0.000	1	106.4030	13.499	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.1715	0.172	2	108.3134	0.134	5	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.4080	0.469	3	108.3134	0.134	5	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.4300	0.000	1	108.4300	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.5100	0.000	1	109.3215	0.071	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.1330	0.000	1	109.3215	0.071	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.3030	0.000	1	109.3030	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H){1|F<1>,1|H<1>,6|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	110.2620	0.000	1	110.2620	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.9430	0.051	2	107.9430	0.003	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.5450	0.000	1	107.5450	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.5300	0.000	1	107.5300	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.1330	0.000	1	109.1330	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	104.4300	1.317	2	106.6831	3.916	12	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.2360	0.000	1	106.6831	3.916	12	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	102.0660	0.000	1	106.6831	3.916	12	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|H<1>,7|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.9810	0.000	1	106.6831	3.916	12	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){2|H<1>,6|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.7968	0.223	5	106.6831	3.916	12	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){3|C<2>,5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.5350	0.182	2	106.6831	3.916	12	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.5660	0.000	1	108.5660	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.0570	0.000	1	108.0570	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	107.5089	0.213	11	107.5089	0.045	11	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.2820	0.000	1	106.2370	3.731	4	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	106.4725	0.754	2	106.2370	3.731	4	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){3|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	103.7210	0.000	1	106.2370	3.731	4	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.1420	0.000	1	108.1420	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.3410	0.000	1	108.3410	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.7110	0.709	4	108.7110	0.502	4	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	105.6690	0.000	1	105.6690	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	109.0930	0.000	1	109.0930	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.3430	0.000	1	108.3430	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	105.8845	4.041	4	105.8845	16.330	4	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.3430	0.000	1	108.3430	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.1570	0.000	1	108.1570	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.1575	0.257	2	108.1575	0.066	2	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(O)2	108.6130	0.000	1	108.6130	0.000	1	107.8289	3.225	132	107.9041	2.877	172	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H)	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(COO)(H)	108.1710	0.000	1	108.1710	0.000	1	108.1710	0.000	1	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	108.0400	0.000	1	108.0400	0.000	1	107.8271	3.511	10	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CHO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CHO)(H)	104.2520	0.000	1	104.2520	0.000	1	107.8271	3.511	10	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CNO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CNO)(H)	107.0100	0.000	2	107.0100	0.000	2	107.8271	3.511	10	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	109.8160	0.000	1	109.8160	0.000	1	107.8271	3.511	10	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(COO)(H)	105.6170	0.000	1	105.6170	0.000	1	107.8271	3.511	10	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CCO)(H)	109.1315	0.773	4	109.1315	0.597	4	107.8271	3.511	10	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	105.0070	0.000	1	105.0070	0.000	1	105.0070	0.000	1	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CNO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CNO)(H)	106.9260	0.000	2	106.9260	0.000	2	107.6644	2.168	7	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CCO)(H)	108.8170	0.000	1	108.8170	0.000	1	107.6644	2.168	7	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H){1|C<3>,4|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CCO)(H)	105.8120	0.000	1	105.8120	0.000	1	107.6644	2.168	7	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	109.3420	0.375	2	109.3420	0.140	2	107.6644	2.168	7	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CCO)(H)	106.4860	0.000	1	106.4860	0.000	1	107.6644	2.168	7	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CCH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CCH)(O)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H){1|F<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	105.8740	0.000	1	105.8740	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.3890	0.000	1	108.3890	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.3050	0.000	1	108.3050	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	107.8540	0.000	1	107.8540	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	106.6490	0.000	1	106.6490	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	106.4280	0.000	1	106.4280	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.4210	0.000	1	107.4210	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	109.0165	0.033	2	109.0165	0.001	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	109.1730	0.000	1	109.1730	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	108.4150	0.000	1	108.4150	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]O)(H)	108.0580	0.291	4	108.0580	0.085	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]C)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]C)(H)	106.7495	0.135	2	106.7495	0.018	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.2517	0.178	3	108.2517	0.032	3	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.5490	0.000	1	108.5490	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	106.1450	0.000	1	106.1450	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	109.1260	0.000	1	109.1260	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCN)(H)	108.7110	0.000	1	108.7110	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.4780	0.398	5	107.7177	0.238	16	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.8631	0.514	10	107.7177	0.238	16	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.4630	0.000	1	107.7177	0.238	16	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]O)(H)	107.2673	0.522	18	107.1704	0.270	22	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]O)(H)	106.7340	0.195	4	107.1704	0.270	22	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	107.4850	0.000	1	107.8015	0.200	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.1180	0.000	1	107.8015	0.200	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	107.6122	0.483	6	107.4523	0.271	8	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	106.9725	0.339	2	107.4523	0.271	8	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	106.7440	0.000	1	106.7440	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCC)(H)	108.6402	0.697	6	108.6402	0.486	6	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCH)(H)	107.7740	0.000	1	107.7740	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCN)(H)	108.8890	0.411	4	108.8890	0.169	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.1661	0.542	31	108.1661	0.294	31	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCS)(H)	108.3035	0.060	2	108.3035	0.004	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	107.7875	0.422	4	107.7875	0.178	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]H)(H)	108.9623	1.142	3	108.9623	1.304	3	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]C)(H)	107.8040	0.000	1	107.8040	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]H)(H)	108.9034	0.610	7	108.9034	0.372	7	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]N)(H)	108.4540	0.453	2	108.4540	0.205	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	107.8887	0.833	7	107.8887	0.694	7	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	106.2670	0.000	1	107.4120	1.519	11	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	108.7200	0.000	1	107.4120	1.519	11	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	107.3939	1.233	9	107.4120	1.519	11	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	108.4000	0.533	22	108.4000	0.284	22	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	108.5870	0.000	1	108.3210	0.037	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	108.2323	0.089	3	108.3210	0.037	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.9765	0.349	2	108.9205	0.046	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.8645	0.060	2	108.9205	0.046	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	107.8500	0.000	1	108.3575	0.515	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.8650	0.000	1	108.3575	0.515	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	110.3880	0.000	1	110.3880	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.4560	0.000	1	108.4560	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.0685	0.757	2	108.0685	0.574	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCC)(H)	108.5230	0.000	1	108.5230	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCN)(H)	108.1920	0.664	10	108.1920	0.441	10	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	106.4590	0.000	1	107.9451	0.559	45	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.0680	0.497	37	107.9451	0.559	45	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.4600	1.516	6	107.9451	0.559	45	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.7950	0.000	1	107.9451	0.559	45	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	108.3882	0.322	4	107.9990	0.835	5	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	106.4420	0.000	1	107.9990	0.835	5	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5,6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5,6]O)(H)	107.7460	0.000	1	107.7460	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]H)(H)	108.7080	0.000	1	108.7080	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]N)(H)	108.7732	0.277	6	108.7732	0.077	6	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	107.8584	1.056	8	107.8584	1.114	8	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]H)(H)	108.1363	0.727	11	108.1363	0.528	11	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]O)(H)	108.3442	0.435	6	108.3442	0.189	6	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]W)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]W)(H)	108.5730	0.000	1	108.5730	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]H)(H)	107.8220	0.000	1	107.8220	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]O)(H)	108.1668	0.304	5	108.1668	0.093	5	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]S)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]S)(H)	108.0060	0.000	1	108.0060	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]C)(H)	108.2120	0.000	1	108.2120	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]N)(H)	107.9410	0.000	1	107.9410	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.3020	0.248	20	108.3883	0.170	23	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.9640	0.842	3	108.3883	0.170	23	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHN)(H)	106.8580	0.000	1	106.8580	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHO)(H)	107.9310	0.000	1	107.9310	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNN)(H)	108.4634	0.474	19	108.4634	0.225	19	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	107.9741	0.609	29	108.0095	0.396	30	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)(H)	109.0360	0.000	1	108.0095	0.396	30	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNP)(H)	108.4936	0.149	12	108.4936	0.022	12	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	108.3871	0.543	31	108.3384	0.412	34	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	108.6410	0.139	2	108.3384	0.412	34	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	106.2220	0.000	1	108.3384	0.412	34	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]N)(H)	108.0070	0.000	1	108.0070	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]O)(H)	108.1770	0.139	2	108.1770	0.019	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]Pd)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]Pd)(H)	108.1810	0.040	2	108.1810	0.002	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]S)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]S)(H)	108.3670	0.000	1	108.3670	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]Se)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]Se)(H)	108.6520	0.008	2	108.6520	0.000	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5a]N)(H)	108.2741	0.338	8	108.2741	0.114	8	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5a]Pd)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5a]Pd)(H)	108.8720	0.000	1	108.8720	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[6]N)(H)	108.1135	0.613	6	108.1135	0.376	6	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[6]Se)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[6]Se)(H)	108.5303	0.229	3	108.5303	0.052	3	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	107.6115	0.136	2	107.9267	1.142	24	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	108.2109	0.536	20	107.9267	1.142	24	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	107.1600	0.000	1	107.9267	1.142	24	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	103.6390	0.000	1	107.9267	1.142	24	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COP)(H)	107.3670	1.541	2	107.3670	2.376	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COS)(H)	108.3100	0.000	1	108.3100	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CPdN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CPdN)(H)	108.7365	0.152	4	108.7365	0.023	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CRuC)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CRuC)(H)	109.0000	0.000	1	109.0000	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CSeN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CSeN)(H)	108.4415	0.271	6	108.4415	0.073	6	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.0914	0.233	5	108.0914	0.054	5	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	109.2400	0.000	1	109.2400	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	106.9530	0.000	1	106.9530	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.6810	0.000	1	107.9033	0.948	3	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.5145	0.995	2	107.9033	0.948	3	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.2955	0.135	2	108.2955	0.018	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	109.1120	0.000	1	108.0330	0.830	13	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	107.9431	0.889	12	108.0330	0.830	13	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	108.4020	0.000	1	108.4020	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.5170	0.000	1	108.5170	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHO)(H)	108.0800	0.000	1	108.0800	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	108.7695	0.095	2	108.7695	0.009	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.6610	1.105	2	108.6610	1.220	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	109.2130	0.000	1	109.2130	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	108.3480	0.000	1	108.3480	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	109.4305	0.084	2	109.4305	0.007	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.6460	0.000	1	108.6460	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(H)	108.6040	0.000	1	108.6040	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	109.1770	1.706	2	109.1770	2.909	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(H)	108.9410	0.000	1	108.9410	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNS)(H)	108.4680	0.247	2	108.4680	0.061	2	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.2150	0.459	4	108.2150	0.211	4	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]HH)2(NCH)(H){1|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(H)	108.8100	0.000	1	108.8100	0.000	1	108.1384	0.569	524	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:O-1:	C[6](C[6]C[6]HH)2(NCO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6]HH)2(NCO)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCH)(O)	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[4]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[4]C[4]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[4]C[4]2)(H)	109.2100	0.546	2	109.2100	0.298	2	109.2100	0.298	2	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[5]-3:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[5]C[5]2)(H)	107.9993	0.473	4	107.9993	0.224	4	107.8682	0.254	5	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[5]-3:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[5]N[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[5]N[5]2)(H)	107.3440	0.000	1	107.3440	0.000	1	107.8682	0.254	5	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	111.0680	0.000	1	111.0680	0.000	1	109.1962	0.852	9	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	108.7102	0.226	6	108.9597	0.478	7	109.1962	0.852	9	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	110.4570	0.000	1	108.9597	0.478	7	109.1962	0.852	9	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]N[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]N[6]2)(H)	108.9800	0.000	1	108.9800	0.000	1	109.1962	0.852	9	108.1382	0.673	562	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:O-2:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	107.6105	0.115	2	107.6105	0.013	2	107.6105	0.013	2	107.6105	0.013	2	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)2	107.9500	0.000	1	107.9500	0.000	1	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)(CNO)	106.3372	1.643	4	106.3372	2.700	4	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCO)2	105.9380	0.000	1	105.9380	0.000	1	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]O)(CNO)	107.1580	0.000	1	107.1580	0.000	1	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	106.7040	0.000	1	106.7040	0.000	1	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	106.9340	0.445	5	106.9340	0.198	5	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	106.3648	1.045	10	106.3648	1.092	10	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNN)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNN)2	105.2280	0.000	1	105.2280	0.000	1	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNO)2	106.4070	0.000	1	106.4070	0.000	1	106.5221	1.019	25	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-3:C-3:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2)(CCN)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2)(CCN)	107.1340	0.000	1	107.1340	0.000	1	106.8325	0.182	2	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-3:C-3:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	106.5310	0.000	1	106.5310	0.000	1	106.8325	0.182	2	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-3:P-3:	C[6](C[6]C[6]HH)2(NPP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]N)2	C[6](C[6]C[6]HH)2(NPP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]N)2	106.8810	0.000	1	106.8810	0.000	1	106.8810	0.000	1	106.5571	0.923	28	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-4:	C[6](C[6]C[6,6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]C)(CH3)	C[6](C[6]C[6,6]HH)2(NCC)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]C)(CH3)	106.6835	0.255	2	106.6835	0.065	2	106.7955	0.051	4	106.7057	0.143	7	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(CH3)	107.0450	0.000	1	107.0450	0.000	1	106.7955	0.051	4	106.7057	0.143	7	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]C)(CH3)	106.7700	0.000	1	106.7700	0.000	1	106.7955	0.051	4	106.7057	0.143	7	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-3:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]N)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]N)(CH3)	106.5860	0.562	3	106.5860	0.316	3	106.5860	0.316	3	106.7057	0.143	7	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(SO3)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(SO3)(H)	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	107.8300	0.000	1	107.8300	0.000	1	107.8300	0.000	1	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	106.9960	0.000	1	106.9960	0.000	1	107.3455	0.361	4	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	106.8140	0.000	1	106.8140	0.000	1	107.3455	0.361	4	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNPW)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNPW)(H)	108.1660	0.000	1	108.1660	0.000	1	107.3455	0.361	4	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CYbNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CYbNN)(H)	107.4060	0.000	1	107.4060	0.000	1	107.3455	0.361	4	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]3)(H)	108.1120	0.000	1	108.1120	0.000	1	107.9485	1.157	24	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PRuCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PRuCC)(H)	109.8298	0.882	4	109.8298	0.778	4	107.9485	1.157	24	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PN3)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PN3)(H)	107.5706	0.266	5	107.5706	0.071	5	107.9485	1.157	24	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNO)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNO)(H)	107.3862	0.720	10	107.3862	0.519	10	107.9485	1.157	24	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNS)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNS)(H)	106.9880	0.000	1	106.9880	0.000	1	107.9485	1.157	24	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PO3)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PO3)(H)	108.2097	0.262	3	108.2097	0.068	3	107.9485	1.157	24	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	108.0989	0.311	9	108.0989	0.097	9	108.0989	0.097	9	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.2370	0.000	1	107.2370	0.000	1	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(NHS)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.4010	0.000	1	109.4010	0.000	1	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.0920	0.000	1	107.0920	0.000	1	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.6360	0.000	1	108.6360	0.000	1	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.7187	0.913	3	107.7187	0.833	3	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.0845	0.005	2	108.0845	0.000	2	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCOO)(H)	109.5120	0.000	1	109.5120	0.000	1	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|S<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.8580	0.000	1	107.9470	1.660	2	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){5|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.0360	0.000	1	107.9470	1.660	2	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	105.7790	0.000	1	105.7790	0.000	1	107.9135	1.207	13	107.8990	0.890	52	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:B-2:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BFe)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BFe)	107.4055	0.405	4	107.4055	0.164	4	107.3100	0.169	5	107.3100	0.169	5	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:B-2:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BIr)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BIr)	106.9280	0.000	1	106.9280	0.000	1	107.3100	0.169	5	107.3100	0.169	5	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	106.3780	0.206	2	106.3780	0.043	2	106.3780	0.043	2	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:B-3:	C[6](C[6]C[6]HH)2(NBC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C[6](C[6]C[6]HH)2(NBC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	106.4680	0.000	1	106.4680	0.000	1	106.4680	0.000	1	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(COO)	105.9770	0.000	1	105.9770	0.000	1	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	106.0345	0.078	2	106.0345	0.006	2	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CHN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CHN)	107.6675	0.153	2	107.6675	0.024	2	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CIrN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CIrN)	106.7720	0.230	4	106.7720	0.053	4	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CRhN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CRhN)	106.7070	0.106	2	106.7070	0.011	2	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(CNO)	107.1040	0.000	1	107.1040	0.000	1	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(CNS)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(CNS)	106.9260	0.000	1	106.9260	0.000	1	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(CSS)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(CSS)	107.5400	0.000	2	107.5400	0.000	2	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	107.5740	0.000	1	107.5740	0.000	1	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CCO)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CCO)	107.2390	0.000	1	107.2390	0.000	1	106.9298	0.330	17	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BClRu)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BClRu)	107.1075	1.527	2	107.1075	2.331	2	106.3490	1.377	6	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BIrH)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BIrH)	106.3940	1.065	2	106.3940	1.134	2	106.3490	1.377	6	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:B-3:	C[6](C[6]C[6]HH)2(NC[6]B)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BN[6]Fe)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(BN[6]Fe)	105.5455	0.988	2	105.5455	0.976	2	106.3490	1.377	6	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCO)	106.5229	0.530	14	106.6206	0.353	16	106.5374	0.422	36	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCO)	107.3050	0.757	2	106.6206	0.353	16	106.5374	0.422	36	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CC[6]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CC[6]O)	106.7445	0.689	2	106.7445	0.475	2	106.5374	0.422	36	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CC[6a]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CC[6a]O)	106.9255	0.553	8	106.9255	0.306	8	106.5374	0.422	36	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CNN)	105.9028	0.182	6	105.9028	0.033	6	106.5374	0.422	36	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(COS)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(COS)	106.3965	0.547	2	106.3965	0.299	2	106.5374	0.422	36	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CPdN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CPdN)	106.1560	1.499	2	106.1560	2.247	2	106.5374	0.422	36	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C[3]-3:	C[6](C[6]C[6]HH)2(NC[3]C[6])(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(C[3]C[3]2)	C[6](C[6]C[6]HH)2(NC[3]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(C[3]C[3]2)	106.9970	0.601	8	106.9970	0.362	8	106.9970	0.362	8	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C[4]-3:	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(C[4]N[4]2)	105.2340	0.482	34	105.2340	0.233	34	105.2340	0.233	34	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:N-3:	C[6](C[6]C[6]HH)2(NC[6]N)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(NOO)	C[6](C[6]C[6]HH)2(NC[6]N)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(NOO)	106.1120	1.088	2	106.1120	1.183	2	106.1120	1.183	2	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PC[6a]N[6])	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PC[6a]N[6])	106.5460	0.423	2	106.5460	0.179	2	106.7618	0.128	4	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:P-3:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PCl2)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PCl2)	106.9775	0.139	2	106.9775	0.019	2	106.7618	0.128	4	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:Si[4]-3:	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(Si[4]N[4]2)	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(Si[4]N[4]2)	106.7730	0.597	2	106.7730	0.356	2	106.7730	0.356	2	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:Ge-4:C-3:	C[6](C[6]C[6]HH)2(NGeC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(GeSe2N)(CCN)	C[6](C[6]C[6]HH)2(NGeC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(GeSe2N)(CCN)	104.9785	0.114	2	104.9785	0.013	2	104.9785	0.013	2	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:C-3:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2Pd)(CCN)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2Pd)(CCN)	104.4080	0.000	1	104.4080	0.000	1	104.4080	0.000	1	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]HH)2(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	106.1960	0.000	1	106.1960	0.000	1	106.1960	0.000	1	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:Si-4:C-3:	C[6](C[6]C[6]HH)2(NSiC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SiC3)(CNN)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SiC3)(CNN)	106.3215	0.189	2	106.3215	0.036	2	106.3215	0.036	2	106.1900	0.834	118	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:S-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	103.9470	0.000	1	103.9470	0.000	1	103.9470	0.000	1	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	106.1330	0.092	2	106.1330	0.008	2	106.1330	0.008	2	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:P-4:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(PN3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(PN3)	106.1950	0.710	3	106.1950	0.504	3	106.1950	0.504	3	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	107.7670	0.000	1	107.3830	0.295	2	106.9970	0.305	4	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:S-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	106.9990	0.000	1	107.3830	0.295	2	106.9970	0.305	4	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HH)2(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	106.7230	0.000	1	106.7230	0.000	1	106.9970	0.305	4	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HO)2(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	106.4990	0.000	1	106.4990	0.000	1	106.9970	0.305	4	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CRhNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CRhNN)	105.7445	0.449	2	105.7445	0.202	2	105.2968	0.553	8	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CSbNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CSbNN)	105.1827	1.018	4	105.1827	1.037	4	105.2968	0.553	8	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CZnNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CZnNN)	105.0770	0.096	2	105.0770	0.009	2	105.2968	0.553	8	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PC[6]N[5]N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PC[6]N[5]N)	102.4800	0.000	1	104.7685	10.474	2	105.8184	1.499	16	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PC[6]N[5]N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PC[6]N[5]N)	107.0570	0.000	1	104.7685	10.474	2	105.8184	1.499	16	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PHNN)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PHNN)	105.6320	0.756	10	105.6320	0.571	10	105.8184	1.499	16	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PHPW)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PHPW)	106.8095	0.361	4	106.8095	0.130	4	105.8184	1.499	16	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NC[6]S)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(SCOO)	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(SCOO)	105.5975	1.208	4	106.1277	1.635	6	106.1277	1.635	6	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NC[6]S)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(SCOO)	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(SCOO)	107.1880	0.649	2	106.1277	1.635	6	106.1277	1.635	6	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]CrN)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]CrN)(CH3)	106.8355	0.301	2	106.8355	0.090	2	106.7181	0.230	11	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNO)(CH3)	106.6920	0.521	9	106.6920	0.272	9	106.7181	0.230	11	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:P-4:	C[6](C[6]C[6]HH)2(NPP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2Cr)2	C[6](C[6]C[6]HH)2(NPP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2Cr)2	106.3860	0.000	1	106.3860	0.000	1	106.3860	0.000	1	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	107.1470	0.000	1	107.1470	0.000	1	107.2407	0.167	9	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	107.8610	0.478	2	107.8610	0.228	2	107.2407	0.167	9	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	107.1800	0.000	1	107.1800	0.000	1	107.2407	0.167	9	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)2(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	107.0234	0.151	5	107.0234	0.023	5	107.2407	0.167	9	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP2	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:S-4:	C[6](C[6]C[6]HH)2(NSS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)2	C[6](C[6]C[6]HH)2(NSS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)2	105.5890	0.000	1	105.5890	0.000	1	105.5890	0.000	1	106.2268	1.142	62	107.6287	6.737	1288	107.6273	6.658	1312
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:3:3:1:	4:	4:4:1:	C[4,6,6]-4:C[6,6]-3:N-3:H-1:	C[6,6]-4:	C[6,6]-4:S-4:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H)	H(C[6,6]C[4,6,6]C[6,6]N)	N(C[6,6]C[4,6,6]C[6,6]H)(SC[6a]NO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(NHS)(H){2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]N)	N(C[6,6]C[4,6,6]C[6,6]H)(SC[6a]NO)(H)	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	109.0340	0.000	1	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	3:4:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6a]-3:C[6,6]-4:C-4:	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	H(C[6,6]C[3x6]2N)	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H)	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(H)2	107.9934	0.402	5	107.9934	0.162	5	108.0447	0.145	6	108.0447	0.145	6	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	4:1:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H)	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HO)(NHH)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(H)2	108.3010	0.000	1	108.3010	0.000	1	108.0447	0.145	6	108.0447	0.145	6	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	4:3:1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C[6a]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H){1|O<1>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	107.5735	1.883	2	107.5735	3.546	2	107.5735	3.546	2	107.5735	3.546	2	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	4:3:2:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C[6a]-3:C-2:	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	108.7130	0.484	2	108.7130	0.234	2	108.7130	0.234	2	108.7130	0.234	2	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	4:4:1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CCHH)(H)	107.1500	0.000	1	107.1500	0.000	1	107.1500	0.000	1	108.4560	3.411	2	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	4:4:1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:S-4:H-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H)	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(SC[6a]OO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NHS)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]N)	N(C[6,6]C[3x6]C[6,6]H)(SC[6a]OO)(H)	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	108.4560	3.411	2	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	4:4:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CH3)2	107.6170	0.346	2	107.9043	0.308	3	107.9043	0.308	3	107.9043	0.308	3	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6,6]	H	N	4:4:3:1:	4:	4:4:4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6,6]-4:	C[6,6]-4:C-4:C-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2N)	N(C[6,6]C[3x6]2H)(CH3)2	108.4790	0.000	1	107.9043	0.308	3	107.9043	0.308	3	107.9043	0.308	3	108.1777	0.698	17	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	2:4:3:1:	4:	4:4:1:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SC[6a]OO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SC[6a]OO)(H)	109.5710	0.000	1	109.5710	0.000	1	109.5710	0.000	1	109.5710	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	2:4:3:1:	4:	4:4:4:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CH3)2	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H){1|O<1>,2|C<3>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CH3)2	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:2:3:1:	4:	4:4:4:	C[6,6a]-3:O[6]-2:N-3:H-1:	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)	H(C[6]C[6,6a]O[6]N)	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>}	H(C[6]C[6,6a]O[6]N)	N(C[6]C[6,6a]O[6]H)(CCCH)2	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	108.0815	0.041	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:2:3:1:	4:	4:4:4:	C[6]-3:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H){2|C<3>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.0815	0.041	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:1:1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NHH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	17.8585	0.000	1	17.8585	0.000	1	17.8585	0.000	1	61.6552	3836.311	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:1:1:	N[6]-3:N[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](N[6]C[6a]C[6])2(NHH)(H)	H(C[6]N[6]2N)	N(C[6]N[6]2H)(H)2	C[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,2|O<1>,4|C<3>}	H(C[6]N[6]2N)	N(C[6]N[6]2H)(H)2	105.4520	0.000	1	105.4520	0.000	1	105.4520	0.000	1	61.6552	3836.311	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	H(C[6]C[6,6a]2N)	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>}	H(C[6]C[6,6a]2N)	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	107.1470	4.003	3	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	107.1470	4.003	3	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:3:1:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(NC[6a]H)(H)	104.9710	0.000	1	104.9710	0.000	1	104.9710	0.000	1	107.1470	4.003	3	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:3:3:	C[6,6a]-3:N[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	105.2020	0.000	1	105.2020	0.000	1	105.2020	0.000	1	105.2020	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:4:1:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]H)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]H)2(NCH)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)(H)	15.6145	0.000	1	15.6145	0.000	1	15.6145	0.000	1	15.6145	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:4:2:	C[5a,6]-3:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:O-2:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	109.7030	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:3:3:1:	4:	4:4:4:	C[6,6a]-3:C[6]-3:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	106.6385	0.029	2	106.6385	0.001	2	106.6385	0.001	2	106.6385	0.001	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	3:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	109.2670	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:1:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(H)2	105.7450	0.000	1	105.7450	0.000	1	105.7450	0.000	1	105.7450	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SCO)(H)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SCO)(H)	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[3,6]N)	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>}	H(C[6]C[6,6a]C[3,6]N)	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[6,6]N)	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>}	H(C[6]C[6,6a]C[6,6]N)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	106.5760	0.000	1	106.5760	0.000	1	106.5760	0.000	1	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	106.9390	0.000	1	106.9390	0.000	1	107.5435	0.731	2	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(COO)(H)	108.1480	0.000	1	108.1480	0.000	1	107.5435	0.731	2	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	108.1150	0.000	1	108.1150	0.000	1	108.2523	1.287	3	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	109.4490	0.000	1	109.4490	0.000	1	108.2523	1.287	3	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	107.1930	0.000	1	107.1930	0.000	1	108.2523	1.287	3	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(NCH)(H)	109.9730	0.000	1	109.9730	0.000	1	109.9730	0.000	1	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	107.1290	0.000	1	107.1290	0.000	1	106.8086	20.373	9	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	106.7332	10.325	2	104.4722	68.638	3	106.8086	20.373	9	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	99.9501	0.000	1	104.4722	68.638	3	106.8086	20.373	9	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SC[6a]O)(H)	107.8780	0.000	1	107.8780	0.000	1	106.8086	20.373	9	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	108.2135	0.250	4	108.2135	0.062	4	106.8086	20.373	9	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	H(C[6]N[5,6]C[6]N)	N(C[6]N[5,6]C[6]H)(COO)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	H(C[6]N[5,6]C[6]N)	N(C[6]N[5,6]C[6]H)(COO)(H)	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	107.4897	10.117	19	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:2:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:O-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	108.8990	3.931	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:3:2:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(COO)(OH)	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	108.8990	3.931	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	107.1410	0.000	1	107.1410	0.000	1	107.1410	0.000	1	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NHS)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	108.1860	0.000	1	108.1860	0.000	1	107.8960	0.168	2	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(H)	107.6060	0.000	1	107.6060	0.000	1	107.8960	0.168	2	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CC[3]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CC[3]HH)(H)	106.2345	0.255	4	106.2345	0.065	4	106.2345	0.065	4	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[5,6]N)	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>}	H(C[6]C[6,6a]C[5,6]N)	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	108.5232	0.416	4	108.5232	0.173	4	108.5232	0.173	4	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CC[5]HH)(H)	107.4790	0.000	1	107.4790	0.000	1	108.1270	0.840	2	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	108.7750	0.000	1	108.7750	0.000	1	108.1270	0.840	2	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	108.4525	0.043	2	107.9670	0.708	3	107.5308	0.766	5	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	106.9960	0.000	1	107.9670	0.708	3	107.5308	0.766	5	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(H)	106.5450	0.000	1	106.5450	0.000	1	107.5308	0.766	5	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SCOO)(H)	107.2080	0.000	1	107.2080	0.000	1	107.5308	0.766	5	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NHS)(H){1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.1810	0.434	2	108.1810	0.188	2	108.1810	0.188	2	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	N[5,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	H(C[6]N[5,6]C[6]N)	N(C[6]N[5,6]C[6]H)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]N[5,6]C[6]N)	N(C[6]N[5,6]C[6]H)(CCHH)(H)	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:1:	N[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(CC[5]HH)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(CC[5]HH)(H)	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	107.6999	1.004	22	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:3:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:S-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	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>}	H(C[6]C[5a,6]C[6]N)	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	106.3730	0.000	1	106.3730	0.000	1	106.3730	0.000	1	106.3730	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:4:	C[5a,6]-3:C[6,6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H)	H(C[6]C[5a,6]C[6,6]N)	N(C[6]C[5a,6]C[6,6]H)(CH3)2	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>}	H(C[6]C[5a,6]C[6,6]N)	N(C[6]C[5a,6]C[6,6]H)(CH3)2	107.4330	0.000	1	107.4330	0.000	1	107.4330	0.000	1	106.0380	0.683	6	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	105.9670	0.000	1	105.9670	0.000	1	105.9670	0.000	1	106.0380	0.683	6	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:4:	C[6,6a]-3:C[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]C[6]N)	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>}	H(C[6]C[6,6a]C[6]N)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)2	105.3110	0.000	1	105.3110	0.000	1	105.3110	0.000	1	106.0380	0.683	6	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:4:	C[6,6a]-3:N[6]-4:N-3:H-1:	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)	H(C[6]C[6,6a]N[6]N)	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>}	H(C[6]C[6,6a]N[6]N)	N(C[6]C[6,6a]N[6]H)(CH3)2	105.1150	0.000	1	105.1150	0.000	1	105.1150	0.000	1	106.0380	0.683	6	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:4:	C[6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	106.3280	0.000	1	106.3280	0.000	1	106.3280	0.000	1	106.0380	0.683	6	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	3:4:3:1:	4:	4:4:4:	N[5a,6]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H)	H(C[6]N[5a,6]C[6]N)	N(C[6]N[5a,6]C[6]H)(CH3)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H){3|C<3>,3|C<4>}	H(C[6]N[5a,6]C[6]N)	N(C[6]N[5a,6]C[6]H)(CH3)2	106.0740	0.000	1	106.0740	0.000	1	106.0740	0.000	1	106.0380	0.683	6	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:2:3:1:	4:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]ClH)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(H)2	107.9603	0.416	3	107.9603	0.173	3	108.3415	0.696	4	108.3415	0.696	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:2:3:1:	4:	4:1:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(H)2	109.4850	0.000	1	109.4850	0.000	1	108.3415	0.696	4	108.3415	0.696	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:2:3:1:	4:	4:3:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	108.7377	0.139	3	108.7377	0.019	3	108.7377	0.019	3	108.7377	0.019	3	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:2:3:1:	4:	4:4:1:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H)	H(C[6]C[5,6]O[6]N)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	H(C[6]C[5,6]O[6]N)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	107.3720	0.000	1	107.3720	0.000	1	107.3720	0.000	1	107.2990	0.011	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:2:3:1:	4:	4:4:1:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H){1|H<1>,2|C<3>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCHH)(H)	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	107.2990	0.011	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:2:3:1:	4:	4:4:2:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-4:O-2:	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	H(C[6]C[5,6]O[6]N)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]N)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	105.8580	0.000	1	105.8580	0.000	1	105.8580	0.000	1	107.1075	3.123	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:2:3:1:	4:	4:4:2:	C[6]-4:O[6]-2:N-3:H-1:	C[6]-4:	C[6]-4:C-4:O-2:	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCHH)(OC)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]N)	N(C[6]C[6]O[6]H)(CCHH)(OC)	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	107.1075	3.123	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	3:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	106.2785	0.689	2	106.2785	0.475	2	106.6713	0.701	3	106.6713	0.701	3	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	3:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	107.4570	0.000	1	107.4570	0.000	1	106.6713	0.701	3	106.6713	0.701	3	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:1:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]H)(NHH)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	108.8620	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:3:1:	C[5,6]-4:C[6,6a]-3:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[5,6]N)	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>}	H(C[6]C[6,6a]C[5,6]N)	N(C[6]C[6,6a]C[5,6]H)(SCO)(H)	107.3075	0.052	2	107.3075	0.003	2	107.3075	0.003	2	107.3075	0.003	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:3:2:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-3:O-2:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	106.0480	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[6,6]N)	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>}	H(C[6]C[6,6a]C[6,6]N)	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	106.2570	0.000	1	106.2570	0.000	1	106.2570	0.000	1	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	106.9275	0.790	2	106.5540	0.730	3	106.5540	0.730	3	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	105.8070	0.000	1	106.5540	0.730	3	106.5540	0.730	3	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	105.4070	0.000	1	105.4070	0.000	1	106.4210	2.056	2	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	107.4350	0.000	1	107.4350	0.000	1	106.4210	2.056	2	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]H)(NHS)(H){1|H<1>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.0740	0.000	1	108.0740	0.000	1	108.1517	0.012	3	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.1030	0.000	1	108.1030	0.000	1	108.1517	0.012	3	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NHS)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.2780	0.000	1	108.2780	0.000	1	108.1517	0.012	3	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H)	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(SC[6a]OO)(H)	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H){1|N<2>,2|C<3>}	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(SC[6a]OO)(H)	108.4240	0.000	1	108.4240	0.000	1	108.3017	0.041	3	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:1:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(SO3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]N)	N(C[6]C[6]N[6]H)(SO3)(H)	108.2405	0.244	2	108.2405	0.060	2	108.3017	0.041	3	107.3434	1.190	12	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:4:	C[6,6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H){4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(CH3)2	105.6980	0.000	1	105.6980	0.000	1	105.6980	0.000	1	106.0566	2.521	5	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	105.2110	0.000	1	105.2110	0.000	1	106.1462	3.308	4	106.0566	2.521	5	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	108.4560	0.000	1	108.4560	0.000	1	106.1462	3.308	4	106.0566	2.521	5	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	104.2820	0.000	1	104.2820	0.000	1	106.1462	3.308	4	106.0566	2.521	5	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:3:3:1:	4:	4:4:4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H){1|O<2>,2|O<1>,5|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	106.6360	0.000	1	106.6360	0.000	1	106.1462	3.308	4	106.0566	2.521	5	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	108.6440	0.000	1	108.6440	0.000	1	108.6440	0.000	1	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	108.5970	0.298	2	108.5970	0.089	2	108.3394	0.291	5	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]C[5a,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]C[5a,5a]C[5a])(C[6]C[6]2H)(H)	107.5780	0.000	1	107.5780	0.000	1	108.3394	0.291	5	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2H)(H)	108.8710	0.000	1	108.8710	0.000	1	108.3394	0.291	5	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	H(C[6]C[6]2N)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	108.0540	0.000	1	108.0540	0.000	1	108.3394	0.291	5	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.0590	0.000	1	108.0590	0.000	1	108.4710	0.423	9	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.6050	0.000	1	108.6050	0.000	1	108.4710	0.423	9	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	107.9910	0.000	1	107.9910	0.000	1	108.4710	0.423	9	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	110.0300	0.000	1	110.0300	0.000	1	108.4710	0.423	9	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.4260	0.390	3	108.4260	0.152	3	108.4710	0.423	9	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	108.0930	0.000	1	108.0930	0.000	1	108.4710	0.423	9	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	108.1830	0.000	1	108.1830	0.000	1	108.4710	0.423	9	108.4387	0.332	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5a]-3:C[6]-4:S-4:	C[6](C[6]C[6]HH)2(NC[5a]S)(H)	H(C[6]C[6]2N)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NC[5a]S)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(SC[6a]OO)	107.4230	0.000	1	107.4230	0.000	1	107.4230	0.000	1	107.1953	0.183	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	106.8490	0.205	2	106.8490	0.042	2	106.8490	0.042	2	107.1953	0.183	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	3:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	H(C[6]C[6]2N)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	107.1953	0.183	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(H)2	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CC)(NHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(H)2	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	106.9870	0.000	1	106.9870	0.000	1	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	108.4634	0.927	11	108.4634	0.860	11	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NHH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	108.1718	0.158	5	108.1718	0.025	5	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	109.1690	0.000	1	108.0153	1.762	11	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	107.4990	1.589	5	108.0153	1.762	11	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	107.1210	0.000	1	108.0153	1.762	11	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|N<4>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	108.7880	0.000	1	108.0153	1.762	11	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	109.1935	0.175	2	108.0153	1.762	11	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(NHH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	107.2080	0.000	1	108.0153	1.762	11	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	108.2600	1.440	4	107.4744	2.020	7	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:1:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)2(NHH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HO)2(NHH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(H)2	106.4270	0.263	3	107.4744	2.020	7	108.0409	1.290	35	108.0329	1.255	36	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:2:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-2:H-1:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(OC)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H){2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(OC)(H)	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	108.8740	1.606	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:2:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:O-2:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(OC)(H)	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	108.8740	1.606	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCN)(H)	108.1910	0.000	1	108.1910	0.000	1	108.2602	0.082	8	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]O)(H)	108.1980	0.000	1	108.1980	0.000	1	108.2602	0.082	8	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNN)(H)	108.2447	0.364	4	108.2447	0.133	4	108.2602	0.082	8	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[5]O)(H)	108.6290	0.000	1	108.6290	0.000	1	108.2602	0.082	8	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CN[6]N)(H)	108.0850	0.000	1	108.0850	0.000	1	108.2602	0.082	8	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:N-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(NCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(NCH)(H)	107.8380	0.375	2	107.8380	0.140	2	107.8853	0.077	3	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:N-3:H-1:	C[6](C[6]C[6]HH)2(NHN)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(NNO)(H)	C[6](C[6]C[6]HH)2(NHN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(NNO)(H)	107.9800	0.000	1	107.9800	0.000	1	107.8853	0.077	3	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCO)(H)	107.4710	0.000	1	107.4710	0.000	1	107.4087	0.004	3	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-3:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCO)(H)	107.3775	0.053	2	107.3775	0.003	2	107.4087	0.004	3	108.0087	0.171	15	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]O)(OC)	106.4310	0.000	1	106.4310	0.000	1	106.4310	0.000	1	106.4310	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-3:P-3:	C[6](C[6]C[6]HH)2(NPP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]N)2	C[6](C[6]C[6]HH)2(NPP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]N)2	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	107.1340	0.043	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P[4]-3:P-3:	C[6](C[6]C[6]HH)2(NP[4]P)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(P[4]N[4]2)(PCl2)	C[6](C[6]C[6]HH)2(NP[4]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(P[4]N[4]2)(PCl2)	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	107.1340	0.043	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:3:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-3:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]N)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]N)(CH3)	106.4980	0.000	1	106.4980	0.000	1	106.4980	0.000	1	106.4980	0.000	1	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	106.1140	0.000	1	106.1140	0.000	1	107.3895	3.254	2	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	108.6650	0.000	1	108.6650	0.000	1	107.3895	3.254	2	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(SO3)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(SO3)(H)	107.3610	0.000	1	107.3610	0.000	1	107.3610	0.000	1	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	108.1265	0.719	2	108.1265	0.517	2	108.2062	0.130	8	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	107.9580	0.000	1	107.9580	0.000	1	108.2062	0.130	8	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	108.3410	0.218	2	108.3880	0.028	4	108.2062	0.130	8	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]C)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	108.4350	0.164	2	108.3880	0.028	4	108.2062	0.130	8	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	C[6](C[5,6]C[5,6]Se[5]H)(C[6]C[6]HH)(NHS)(H){1|Se<2>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]N)	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(H)	107.8870	0.000	1	107.8870	0.000	1	108.2062	0.130	8	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(SC[6a]OO)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NHS)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]N)	N(C[6]C[6,6]C[6]H)(SC[6a]OO)(H)	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C-4:C[6]-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(CC[5,5,6]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(CC[5,5,6]HH)(C[6]C[6]2H)(H)	107.5170	0.000	1	107.5170	0.000	1	107.5170	0.000	1	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2H)(H)	106.8080	0.000	1	106.8080	0.000	1	107.6835	1.533	2	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[5]H)(H)	H(C[6]C[6]2N)	N(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[5]C[5]2H)(C[6]C[6]2H)(H)	108.5590	0.000	1	108.5590	0.000	1	107.6835	1.533	2	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(H)	108.5450	0.049	2	108.5450	0.002	2	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(H)	106.9283	0.790	3	106.9283	0.624	3	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(H)	108.3570	0.000	1	108.3570	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	106.8610	0.000	1	106.8610	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)(H)	109.4330	0.000	1	109.4330	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	107.7060	0.000	2	107.7060	0.000	2	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	106.5490	0.000	1	106.5490	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)(H)	108.2767	0.642	6	108.2767	0.412	6	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	108.0110	2.729	6	108.0110	7.449	6	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]HH)(H)	108.0985	1.214	2	108.0985	1.474	2	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	108.3259	0.914	15	108.3259	0.835	15	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(H)	107.9960	0.882	2	107.9960	0.779	2	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	109.6420	0.000	1	109.6420	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	108.1310	0.000	1	108.1310	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	108.3610	0.000	1	108.3610	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	107.9830	0.000	1	107.9830	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	109.1687	0.042	3	109.1687	0.002	3	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CEuNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CEuNN)(H)	107.9500	0.000	1	107.9500	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNNY)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CNNY)(H)	107.9340	0.000	1	107.9340	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CYbNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CYbNN)(H)	108.8235	1.010	2	108.8235	1.021	2	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	108.2900	0.000	1	108.2900	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]HH)(H)	107.0200	0.000	1	107.0200	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]HO)2(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(H)	108.2460	1.291	2	108.2460	1.667	2	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)(H)	108.7470	0.000	1	108.7470	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	109.1010	0.000	1	109.1010	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]HH)(H)	107.7720	0.000	1	107.7720	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(H)	107.6625	0.166	2	107.6625	0.028	2	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:H-1:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H){1|C<3>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(H)	108.1230	0.000	1	108.1230	0.000	1	108.1796	1.268	63	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(H)	108.0920	0.000	1	108.0920	0.000	1	109.3324	7.612	8	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(H)	108.9270	0.000	1	108.9270	0.000	1	109.3324	7.612	8	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NC[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(H)	109.6067	3.198	6	109.6067	10.225	6	109.3324	7.612	8	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:N-4:H-1:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(NCCH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(NCCH)(H)	109.6860	0.000	1	109.6860	0.000	1	109.6860	0.000	1	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2N)(H)	108.1380	0.000	1	108.1380	0.000	1	107.7780	0.280	21	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]OO)(H)	108.1310	0.000	1	108.1310	0.000	1	107.7780	0.280	21	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNO)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNO)(H)	107.6854	0.552	16	107.6854	0.305	16	107.7780	0.280	21	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNS)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNS)(H)	107.8350	0.000	1	107.8350	0.000	1	107.7780	0.280	21	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNOO)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNOO)(H)	107.6980	0.000	1	107.6980	0.000	1	107.7780	0.280	21	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:H-1:	C[6](C[6]C[6]HH)2(NHP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PO3)(H)	C[6](C[6]C[6]HH)2(NHP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PO3)(H)	108.5680	0.000	1	108.5680	0.000	1	107.7780	0.280	21	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	108.1444	0.373	17	108.1444	0.139	17	108.1444	0.139	17	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.7630	0.000	1	108.7630	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.0130	2.546	2	108.0130	6.480	2	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.2250	0.000	1	109.2250	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	106.9690	0.000	1	106.9690	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NHS)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	106.0480	0.465	2	106.0480	0.216	2	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]CO)(C[6]O[6]CH)(NHS)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.7210	0.000	1	108.7210	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	109.4770	0.000	1	109.4770	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.6634	0.532	5	108.6634	0.283	5	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.0895	0.383	4	107.8082	0.973	11	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.2628	0.375	5	107.8082	0.973	11	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(NHS)(H){5|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	106.1090	1.266	2	107.8082	0.973	11	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SO3)(H)	C[6](C[6]C[6]HH)2(NHS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SO3)(H)	108.5375	0.474	2	108.5375	0.225	2	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(NHS)(H){1|S<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.3735	0.487	2	107.3735	0.237	2	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(NHS)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.0415	1.231	2	107.0415	1.516	2	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCOO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NHS)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SCOO)(H)	107.9840	0.000	1	107.9840	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NHS)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.1660	0.000	1	108.1660	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	108.7230	0.000	1	108.7230	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:H-1:	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	C[6](C[6]Se[6]CH)(C[6]C[6]HN)(NHS)(H){1|Se<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(H)	107.0910	0.000	1	107.0910	0.000	1	107.9529	1.180	35	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	P[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	H(C[6]C[6]2N)	N(P[6]C[6,6]O[6]O)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(P[6]C[6,6]O[6]O)(C[6]C[6]2H)(H)	106.8580	0.000	1	106.8580	0.000	1	106.8580	0.000	1	108.1149	1.303	161	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:N-2:	C[6](C[6]C[6]HH)2(NCN)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(NC)	C[6](C[6]C[6]HH)2(NCN)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)(NC)	107.4130	0.089	2	107.4130	0.008	2	107.4130	0.008	2	107.4130	0.008	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CPtN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CPtN)	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	106.4185	1.135	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:C-3:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2Rh)(CN[6]N)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PC[6a]2Rh)(CN[6]N)	105.8620	0.000	1	105.8620	0.000	1	105.8620	0.000	1	106.4185	1.135	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	105.2560	0.000	1	105.2560	0.000	1	106.4495	2.849	2	106.4185	1.135	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-3:	C[6](C[6]C[6]HH)2(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	107.6430	0.000	1	107.6430	0.000	1	106.4495	2.849	2	106.4185	1.135	4	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	105.2150	0.000	1	105.2150	0.000	1	105.0643	0.475	3	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]N)	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	104.9890	0.957	2	104.9890	0.917	2	105.0643	0.475	3	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	104.6660	0.000	1	104.6660	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	104.8580	0.000	1	104.8580	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCCH)2	106.5130	0.000	1	106.5130	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	107.5335	0.876	2	107.5335	0.768	2	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)(CH3)	106.5610	0.000	1	106.5610	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	106.5737	0.572	3	106.5737	0.327	3	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	105.3440	0.000	1	105.3440	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	103.9440	0.000	1	103.9440	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	100.1040	0.000	1	100.1040	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)2	106.2040	0.579	4	106.2040	0.335	4	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	106.6110	0.000	1	106.6110	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	107.4210	0.000	1	107.4210	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	106.2495	0.501	4	106.2495	0.251	4	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	106.5075	0.292	2	106.5075	0.085	2	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	106.2055	1.104	2	106.2055	1.218	2	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	106.3785	0.620	8	106.3785	0.384	8	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	106.0072	1.149	12	106.0072	1.321	12	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)2	106.1220	0.000	1	106.1220	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	106.1608	0.572	4	106.1608	0.327	4	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	106.3460	0.000	2	106.5840	0.745	6	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	106.7030	1.089	4	106.5840	0.745	6	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	106.1900	0.573	6	106.3386	0.324	8	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	106.7845	0.315	2	106.3386	0.324	8	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	106.4920	0.182	4	106.4920	0.033	4	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CCHH)2	105.7140	0.000	1	105.7140	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[5]HH)(CH3)	109.7670	0.000	1	109.7670	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	106.5080	0.000	1	106.5080	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	106.3127	0.052	4	106.3127	0.003	4	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	106.2130	0.381	10	106.2130	0.145	10	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	106.3910	0.000	1	106.3910	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHHP)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHHP)(CH3)	106.5090	0.000	1	106.5090	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHHS)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CHHS)2	106.6065	0.129	2	106.6065	0.017	2	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	108.6310	1.950	2	108.6310	3.803	2	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	105.0945	0.545	2	104.5470	1.048	3	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HO)2(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H){1|N<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	103.4520	0.000	1	104.5470	1.048	3	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)2	106.5460	0.000	1	106.5460	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	106.4660	0.224	4	106.5404	0.038	7	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	106.6105	0.142	2	106.5404	0.038	7	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CH3)2	106.6980	0.000	1	106.5404	0.038	7	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC3)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC3)(CH3)	107.2250	0.000	1	107.2250	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	106.7080	0.000	1	106.7080	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	105.3170	0.000	1	105.3170	0.000	1	106.2649	1.216	106	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	106.9730	0.000	1	106.9730	0.000	1	106.8890	0.014	2	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:S-4:	C[6](C[6]C[6]HH)2(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	106.8050	0.000	1	106.8050	0.000	1	106.8890	0.014	2	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C-4:Si-4:	C[6](C[6]C[6]HH)2(NSiC)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CZrCN)(SiC3)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(CZrCN)(SiC3)	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6,6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)2(NC[6]C)(H){2|H<1>,3|C<4>}	H(C[6]C[6]2N)	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	103.3250	0.000	1	103.3250	0.000	1	106.0169	0.966	17	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCHH)	107.0960	0.129	2	107.0960	0.017	2	106.0169	0.966	17	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CC3)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CC3)	105.3545	1.473	2	105.3545	2.169	2	106.0169	0.966	17	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCCH)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCCH)	106.3380	0.222	4	106.3380	0.049	4	106.0169	0.966	17	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCHO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CCHO)	106.3465	0.407	2	106.3465	0.165	2	106.0169	0.966	17	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CC[6a]HH)	106.3632	0.188	4	106.3632	0.035	4	106.0169	0.966	17	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6]C[6]HH)2(NC[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CSnNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(CSnNN)	105.2815	0.462	2	105.2815	0.213	2	106.0169	0.966	17	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:P-4:	C[6](C[6]C[6]HH)2(NC[6]P)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PHNN)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)2(PHNN)	105.9800	0.617	2	105.9800	0.380	2	105.9800	0.380	2	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNNO)(CH3)	106.7071	0.408	11	106.7071	0.166	11	106.7507	0.174	12	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P-4:C-4:	C[6](C[6]C[6]HH)2(NCP)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNOO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(PNOO)(CH3)	107.2300	0.000	1	107.2300	0.000	1	106.7507	0.174	12	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:P[6]-4:C-4:	C[6](C[6]C[6]HH)2(NP[6]C)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	C[6](C[6]C[6]HH)2(NP[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	106.3050	0.000	1	106.3050	0.000	1	106.3050	0.000	1	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	106.1520	0.000	1	106.1520	0.000	1	106.4349	0.515	9	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	105.9108	0.620	4	105.9108	0.384	4	106.4349	0.515	9	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	106.6360	0.000	1	106.6360	0.000	1	106.4349	0.515	9	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	107.4730	0.000	1	107.4730	0.000	1	106.4349	0.515	9	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)2(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	106.9000	0.000	1	106.9000	0.000	1	106.4349	0.515	9	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:C-4:	C[6](C[6]C[6]HH)2(NCS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	107.1100	0.000	1	107.1100	0.000	1	106.4349	0.515	9	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6]-4:S-4:S-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H)	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)2	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NSS)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(C[6]C[6]2H)(SC[6a]OO)2	106.0155	0.053	2	106.0155	0.003	2	106.0155	0.003	2	106.2646	1.040	155	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	5:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	P[5,6]-5:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[5,6]H)(H)	H(C[6]C[6]2N)	N(P[5,6]O[5]2O[6]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NP[5,6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(P[5,6]O[5]2O[6]2)(C[6]C[6]2H)(H)	108.4160	0.000	1	108.4160	0.000	1	108.4160	0.000	1	108.5715	0.048	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	5:4:1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	P[6]-5:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(NP[6]H)(H)	H(C[6]C[6]2N)	N(P[6]N[6]2SbN)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(P[6]N[6]2SbN)(C[6]C[6]2H)(H)	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	108.5715	0.048	2	107.0041	34.604	505	107.0423	33.540	522
466	951	956	0:SP3_SP-NON_SP3	C[6]	H	N	4:4:3:1:	4:	5:4:4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	Nb[3]-5:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H)	H(C[6]C[6]2N)	N(Nb[3]C[3,6]N[3]HN)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2N)	N(Nb[3]C[3,6]N[3]HN)(C[6]C[6]2H)2	106.8890	0.662	4	106.8890	0.439	4	106.8890	0.439	4	106.8890	0.439	4	107.0041	34.604	505	107.0423	33.540	522
466	951	961	0:SP3_SP-NON_SP3	C[6,6]	H	S[6]	4:4:3:1:	4:	4:3:1:1:	C[6,6]-4:S[6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6]-4:N[6]-3:O-1:O-1:	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]S[6])	S[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)2	C[6,6](C[6,6]C[6]2H)(S[6]N[6]OO)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	S[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)2{1|C<3>,2|C<4>,4|H<1>}	107.4655	0.037	2	107.4655	0.001	2	107.4655	0.001	2	107.4655	0.001	2	107.5537	0.020	4	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6,6]	H	S[6]	4:4:4:1:	4:	4:4:1:1:	C[6,6]-4:C[6]-4:S[6]-4:H-1:	C[6,6]-4:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H)	H(C[6,6]C[6,6]C[6]S[6])	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(S[6]C[6]OO)(H){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]S[6])	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	107.6420	0.164	2	107.6420	0.027	2	107.6420	0.027	2	107.6420	0.027	2	107.5537	0.020	4	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	3:4:1:1:	4:	3:4:1:1:	C[6,6a]-3:S[6]-4:H-1:H-1:	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	H(C[6]C[6,6a]S[6]H)	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>}	H(C[6]C[6,6a]S[6]H)	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>}	109.5700	0.004	2	109.5700	0.000	2	109.5700	0.000	2	109.0963	1.614	41	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	3:4:1:1:	4:	3:4:1:1:	C[6]-3:S[6]-4:Cl-1:H-1:	C[6]-4:	N[6]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(Cl)(H)	H(C[6]C[6]S[6]Cl)	S[6](N[6]C[6,6a]C)(C[6]C[6]ClH)(O)2	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(Cl)(H){1|C<4>,2|C<3>}	H(C[6]C[6]S[6]Cl)	S[6](N[6]C[6,6a]C)(C[6]C[6]ClH)(O)2{1|N<2>,2|C<3>}	108.9310	0.386	6	108.9310	0.149	6	108.9310	0.149	6	109.0963	1.614	41	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	3:4:1:1:	4:	3:4:1:1:	C[6]-3:S[6]-4:H-1:H-1:	C[6]-4:	N[6]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]S[6]H)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|N<2>,2|C<3>}	109.4742	0.165	24	109.4742	0.027	24	109.0977	1.975	33	109.0963	1.614	41	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	3:4:1:1:	4:	3:4:1:1:	C[6]-3:S[6]-4:H-1:H-1:	C[6]-4:	N[6]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]S[6]H)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|O<1>,2|C<3>}	108.0936	2.502	9	108.0936	6.262	9	109.0977	1.975	33	109.0963	1.614	41	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	3:4:3:1:	4:	4:4:1:1:	C[5,6]-3:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H)	H(C[6]C[5,6]S[6]C)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]S[6]C)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	107.9920	0.000	1	107.9920	0.000	1	108.3835	0.307	2	108.3835	0.307	2	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	3:4:3:1:	4:	4:4:1:1:	C[5,6]-3:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H)	H(C[6]C[5,6]S[6]C)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]S[6]C)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	108.7750	0.000	1	108.7750	0.000	1	108.3835	0.307	2	108.3835	0.307	2	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	3:4:4:1:	4:	4:2:1:1:	C[6a]-3:C[6]-4:S[6]-4:H-1:	C[6]-4:	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)	H(C[6]C[6a]C[6]S[6])	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>}	H(C[6]C[6a]C[6]S[6])	S[6](C[6]C[6a]C[6]H)(O[6]C[6])(O)2{1|H<1>,1|N<3>,4|C<3>}	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:3:1:1:	4:	4:4:1:1:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[5]2C[6])(C[6]C[6]HH)(O)2	C[6](S[6]C[6]OO)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[5]2C[6])(C[6]C[6]HH)(O)2{2|Fe<10>,1|C<3>,2|H<1>,5|C<4>}	108.8588	0.332	4	108.8588	0.110	4	109.1024	0.141	8	109.1024	0.141	8	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:3:1:1:	4:	4:4:1:1:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]C[6]H)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2	C[6](S[6]C[6]OO)(C[6]C[6]H)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2{1|C<3>,1|C<4>,2|H<1>}	109.1340	0.040	2	109.1340	0.002	2	109.1024	0.141	8	109.1024	0.141	8	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:3:1:1:	4:	4:4:1:1:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2	C[6](S[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2{1|C<4>,1|O<1>,2|H<1>}	109.5580	0.038	2	109.5580	0.001	2	109.1024	0.141	8	109.1024	0.141	8	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:3:4:1:	4:	3:4:1:1:	S[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	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)	H(C[6]C[6a]C[6]S[6])	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>}	H(C[6]C[6a]C[6]S[6])	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>}	108.0255	0.074	2	108.0255	0.006	2	108.0255	0.006	2	108.0255	0.006	2	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:3:4:1:	4:	4:2:1:1:	C[6]-4:C[6a]-3:S[6]-4:H-1:	C[6]-4:	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)	H(C[6]C[6a]C[6]S[6])	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>}	H(C[6]C[6a]C[6]S[6])	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>}	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:3:4:1:	4:	4:4:1:1:	S[6]-4:C[6]-3:C-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](S[6]C[6]OO)(C[6]O[6]O)(CHHN)(H){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	107.2060	0.000	1	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	2:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	O[6]-2:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](O[6]C[6,6a])(C[6]C[6]HH)(O)2	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2{4|C<3>}	H(C[6]C[6]S[6]H)	S[6](O[6]C[6,6a])(C[6]C[6]HH)(O)2{1|H<1>,3|C<3>}	109.8441	0.230	8	109.8441	0.053	8	109.8441	0.053	8	109.8441	0.053	8	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	3:2:4:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	H(C[6]C[6]S[6]H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,3|H<1>,4|C<3>}	110.3785	0.257	10	110.3785	0.066	10	109.7927	2.285	12	109.7927	2.285	12	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	3:2:4:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2{4|C<3>}	H(C[6]C[6]S[6]H)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,3|H<1>,4|C<3>}	106.8635	1.988	2	106.8635	3.951	2	109.7927	2.285	12	109.7927	2.285	12	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	3:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	N[6,6]-3:C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	H(C[6]C[6]S[6]H)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2{1|N<3>,1|O<2>,6|H<1>}	104.3895	1.882	2	105.6710	5.692	6	105.6710	5.692	6	107.0947	6.549	10	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	3:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	N[6,6]-3:C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	H(C[6]C[6]S[6]H)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)2{2|N<3>,6|H<1>}	106.3117	2.582	4	105.6710	5.692	6	105.6710	5.692	6	107.0947	6.549	10	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	3:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6,6a]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)2{1|C<4>,2|C<3>,3|H<1>}	109.2302	0.157	4	109.2302	0.025	4	109.2302	0.025	4	107.0947	6.549	10	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:2:4:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:N[6]-2:C-4:O-1:	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)(N[6]C[6])(CH3)(O)	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)(N[6]C[6])(CH3)(O){1|C<4>,1|O<1>,2|H<1>}	109.7565	0.056	2	109.7565	0.003	2	109.7565	0.003	2	109.7565	0.003	2	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:3:1:1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:N[6]-3:O-1:O-1:	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2	H(C[6]C[5,6]S[6]H)	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]S[6]H)	S[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(O)2{1|H<1>,1|O<2>,3|C<4>}	109.3710	0.008	2	109.3710	0.000	2	109.3710	0.000	2	109.6586	0.104	5	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:3:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-3:O-1:O-1:	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)(C[6]C[6]C)(O)2	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)(C[6]C[6]C)(O)2{1|C<4>,1|O<2>,2|H<1>}	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	109.6586	0.104	5	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:3:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:N[6]-3:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)2	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)2{1|C<4>,4|H<1>}	109.6975	0.021	2	109.6975	0.000	2	109.6975	0.000	2	109.6586	0.104	5	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[5,6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2	H(C[6]C[5,6]S[6]H)	S[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(O)2	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2{1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]S[6]H)	S[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]HH)(O)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	109.7050	0.060	3	109.7050	0.004	3	109.7050	0.004	3	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[5,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2	H(C[6]C[5,6]S[6]H)	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2{3|C<4>,8|H<1>}	H(C[6]C[5,6]S[6]H)	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2{1|N<4>,2|C<4>,2|H<1>}	108.5445	0.018	2	108.5445	0.000	2	108.5445	0.000	2	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]S[6]H)	S[6](C[6]C[6,6]HH)2(O)2	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]S[6]H)	S[6](C[6]C[6,6]HH)2(O)2{2|H<1>,3|C<4>}	108.3163	0.022	3	108.0004	0.054	11	108.2065	0.298	13	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]S[6]H)	S[6](C[6]C[6,6]HH)2(O)2	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]S[6]H)	S[6](C[6]C[6,6]HH)2(O)2{2|H<1>,3|C<4>}	107.8757	0.099	4	108.0004	0.054	11	108.2065	0.298	13	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]S[6]H)	S[6](C[6]C[6,6]HH)2(O)2	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]S[6]H)	S[6](C[6]C[6,6]HH)2(O)2{2|H<1>,3|C<4>}	107.8880	0.178	4	108.0004	0.054	11	108.2065	0.298	13	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]S[6]H)	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]S[6]H)	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2{1|C<4>,1|N<3>,3|H<1>}	109.3400	0.014	2	109.3400	0.000	2	108.2065	0.298	13	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[5,6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]S[6]H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	109.2505	0.012	2	109.2505	0.000	2	109.2505	0.000	2	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:N-1:O-1:	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O)	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O){1|C<4>,1|O<2>,3|H<1>}	109.3570	0.016	2	109.3570	0.000	2	109.3570	0.000	2	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2{1|C<4>,4|H<1>}	109.3300	0.238	4	109.3300	0.057	4	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2{1|C<4>,4|H<1>}	109.3518	0.046	4	109.3518	0.002	4	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|F<1>,2|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2{1|C<3>,1|C<4>,2|H<1>}	108.9465	0.026	2	108.9465	0.001	2	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[5,6]HH)(C[6]C[6]HH)(O)2{1|N<4>,2|C<4>,2|H<1>}	109.8185	0.023	2	109.8185	0.001	2	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	109.4877	0.108	3	109.4877	0.012	3	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)(C[6]S[6]HH)(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|S<4>,4|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)(C[6]S[6]HH)(O)2{1|C<4>,2|H<1>,2|O<1>}	104.5665	1.330	4	104.5665	1.768	4	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2{1|C<4>,1|O<1>,2|H<1>}	109.4100	0.040	2	109.4100	0.002	2	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[6,6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2	C[6](C[6]N[6,6]HH)(S[6]C[6]OO)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6,6]HH)(C[6]C[6]HH)(O)2{1|C<4>,1|N<3>,3|H<1>}	109.4660	0.000	1	109.4660	0.000	1	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,3|H<1>}	109.6265	0.036	2	109.6265	0.001	2	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.4790	0.010	2	109.4790	0.000	2	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(O)2{1|S<4>,4|H<1>}	105.7757	1.488	6	105.7757	2.214	6	108.1293	4.455	32	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	S[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6,6]OO)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]S[6]H)	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2	C[6](S[6]C[6,6]OO)(C[6,6]C[6]3)(H)2{2|C<4>,3|S<4>,6|H<1>}	H(C[6]C[6,6]S[6]H)	S[6](C[6,6]C[6]2S[6])(C[6]C[6,6]HH)(O)2{2|O<1>,4|H<1>,5|C<4>}	108.0042	0.180	11	108.0042	0.032	11	108.0042	0.032	11	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[3,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]S[6]H)	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[6]S[6]H)	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2{2|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	109.6765	0.009	2	109.6765	0.000	2	109.6765	0.000	2	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[4,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2	H(C[6]C[6]S[6]H)	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(O)2	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(O)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	108.0490	0.131	6	108.0490	0.017	6	108.0490	0.017	6	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[5,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2	H(C[6]C[6]S[6]H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	109.6130	0.000	1	109.6130	0.000	1	109.6320	0.001	3	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[5,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]S[6]H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	S[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	109.6415	0.022	2	109.6415	0.000	2	109.6320	0.001	3	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6,6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	S[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(O)2{2|C<4>,2|O<2>,4|H<1>}	109.4882	0.035	4	109.4882	0.001	4	109.4882	0.001	4	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:1:1:	S[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](S[6]C[6]OO)2(H)2	H(C[6]S[6]2H)	S[6](C[6]C[6]HH)(C[6]S[6]HH)(O)2	C[6](S[6]C[6]OO)2(H)2{1|C<4>,4|H<1>}	H(C[6]S[6]2H)	S[6](C[6]C[6]HH)(C[6]S[6]HH)(O)2{1|C<4>,2|H<1>,2|O<1>}	107.8365	0.982	4	107.8365	0.964	4	107.8365	0.964	4	108.3825	2.078	84	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:1:1:	4:	4:4:2:1:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:N-2:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(NS)(O)	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]S[6]H)	S[6](C[6]C[6]HH)2(NS)(O){1|C<4>,4|H<1>}	109.2665	0.077	4	109.2665	0.006	4	109.2665	0.006	4	109.2665	0.006	4	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	3:4:1:1:	C[6,6]-4:S[6]-4:C-3:H-1:	C[6]-4:	N[6,6]-3:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H)	H(C[6]C[6,6]S[6]C)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]S[6]C)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	106.9430	0.000	1	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	108.1385	0.086	2	108.1385	0.007	2	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	107.5770	0.000	1	107.5770	0.000	1	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	107.4520	0.000	1	107.4520	0.000	1	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	99.2201	0.000	1	99.2201	0.000	1	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,3|H<1>}	108.0700	0.000	1	108.0700	0.000	1	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	108.3808	1.018	4	107.3816	5.769	5	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	103.3850	0.000	1	107.3816	5.769	5	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H){3|C<3>,3|C<4>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.8030	0.000	1	108.8030	0.000	1	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:3:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){3|C<3>,3|C<4>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.3925	0.193	2	108.3925	0.037	2	107.2209	7.315	14	107.2209	7.315	14	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:4:1:	4:	3:2:4:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6a]-3:N[6]-2:C[6]-4:O-1:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H)	H(C[6]C[6]S[6]C)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(CCCH)(H){4|C<3>}	H(C[6]C[6]S[6]C)	S[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]CH)(O){3|H<1>,5|C<3>}	107.4233	0.113	3	107.4233	0.013	3	107.4233	0.013	3	107.4233	0.013	3	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:4:1:	4:	3:4:1:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[5a,6]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]S[6]C)	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]S[6]C)	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	108.9160	0.000	1	108.1725	1.106	2	108.1725	1.106	2	108.1725	1.106	2	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:4:1:	4:	3:4:1:1:	S[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[5a,6]-3:C[6]-4:O-1:O-1:	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H)	H(C[6]C[6]S[6]C)	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2	C[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,1|N<4>,1|S<2>}	H(C[6]C[6]S[6]C)	S[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]CH)(O)2{1|C<4>,2|C<3>,2|H<1>}	107.4290	0.000	1	108.1725	1.106	2	108.1725	1.106	2	108.1725	1.106	2	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:4:1:	4:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H)	H(C[6]C[5,6]S[6]C)	S[6](C[6]C[5,6]CH)2(O)2	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	H(C[6]C[5,6]S[6]C)	S[6](C[6]C[5,6]CH)2(O)2{1|H<1>,4|C<4>}	106.6180	0.000	1	106.6180	0.000	1	106.9550	0.227	2	107.9645	1.439	4	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:4:1:	4:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H)	H(C[6]C[5,6]S[6]C)	S[6](C[6]C[5,6]CH)2(O)2	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(CH3)(H){3|H<1>,5|C<4>}	H(C[6]C[5,6]S[6]C)	S[6](C[6]C[5,6]CH)2(O)2{1|H<1>,4|C<4>}	107.2920	0.000	1	107.2920	0.000	1	106.9550	0.227	2	107.9645	1.439	4	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:4:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:N-1:O-1:	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O)	C[6](C[6]O[6]HH)(S[6]C[6]NO)(CH3)(H){1|C<4>,2|H<1>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(N)(O){1|C<4>,1|O<2>,3|H<1>}	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	107.9645	1.439	4	108.5588	2.671	205	108.5396	2.639	209
466	951	961	0:SP3_SP-NON_SP3	C[6]	H	S[6]	4:4:4:1:	4:	4:4:1:1:	C[6]-4:S[6]-4:C-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H)	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6]HH)(S[6]C[6]OO)(CC[6a]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]S[6]C)	S[6](C[6]C[6]CH)2(O)2{1|C<4>,4|H<1>}	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	107.9645	1.439	4	108.5588	2.671	205	108.5396	2.639	209
466	951	969	0:SP3_SP-NON_SP-NON	C[6]	H	Ga	3:3:3:1:	4:	3:4:4:	C[6]-3:C[6]-3:Ga-3:H-1:	C[6]-4:	C[6a]-3:C[6]-4:C-4:	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H)	H(C[6]C[6]2Ga)	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6a]C[6])2(GaC[6a]C)(H){2|H<1>,5|C<3>}	H(C[6]C[6]2Ga)	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	3.4010	0.000	1	3.4010	0.000	1	3.4010	0.000	1	3.4010	0.000	1	3.4010	0.000	1	3.4010	0.000	1
466	951	975	0:SP3_SP-NON_SP3	C[6,6]	H	Se[6,6]	2:4:4:1:	4:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	H(C[6,6]Se[6,6]C[6]2)	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]BrH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6,6]Se[6,6]C[6]2)	Se[6,6](C[6,6]C[6]2H)2{2|Br<1>,2|C<4>,6|H<1>}	107.8728	0.505	5	107.8728	0.255	5	107.7407	0.136	10	107.7407	0.136	10	107.7407	0.136	10	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6,6]	H	Se[6,6]	2:4:4:1:	4:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H)	H(C[6,6]Se[6,6]C[6]2)	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]ClH)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	H(C[6,6]Se[6,6]C[6]2)	Se[6,6](C[6,6]C[6]2H)2{2|Cl<1>,2|C<4>,6|H<1>}	107.6195	0.030	2	107.6195	0.001	2	107.7407	0.136	10	107.7407	0.136	10	107.7407	0.136	10	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6,6]	H	Se[6,6]	2:4:4:1:	4:	4:4:	Se[6,6]-2:C[6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6]-4:C[6,6]-4:	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H)	H(C[6,6]Se[6,6]C[6]2)	Se[6,6](C[6,6]C[6]2H)2	C[6,6](Se[6,6]C[6,6])(C[6]C[6]HH)(C[6]C[6]HI)(H){2|C<4>,5|H<1>}	H(C[6,6]Se[6,6]C[6]2)	Se[6,6](C[6,6]C[6]2H)2{2|C<4>,2|I<1>,6|H<1>}	107.6013	0.112	3	107.6013	0.013	3	107.7407	0.136	10	107.7407	0.136	10	107.7407	0.136	10	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	3:2:1:1:	4:	4:3:	C[6,6a]-3:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2	H(C[6]C[6,6a]Se[6]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>}	H(C[6]C[6,6a]Se[6]H)	Se[6](C[6]C[6,6a]HH)(C[6]S[6]C){2|C<3>}	109.5385	0.012	2	109.5385	0.000	2	109.5385	0.000	2	109.5385	0.000	2	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	3:2:2:1:	4:	4:4:	C[6a]-3:Se[6]-2:Se[6]-2:H-1:	C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H)	H(C[6]C[6a]Se[6]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>}	H(C[6]C[6a]Se[6]2)	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	108.9600	0.049	2	108.9600	0.002	2	108.9600	0.002	2	108.9600	0.002	2	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	3:4:2:1:	4:	4:3:	C[6a]-3:C[6]-4:Se[6]-2:H-1:	C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H)	H(C[6]C[6a]Se[6]C[6])	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>}	H(C[6]C[6a]Se[6]C[6])	Se[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	108.4785	0.005	2	108.4785	0.000	2	108.4785	0.000	2	108.4785	0.000	2	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:2:1:1:	4:	3:4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[5,6]-3:C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	H(C[6]Se[6]C[6]H)	Se[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]Se[6]C[6]H)	Se[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH){1|Se<2>,1|C<3>,1|S<2>,2|H<1>}	106.6790	1.504	102	106.6790	2.261	102	106.7437	2.207	110	106.7437	2.207	110	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:2:1:1:	4:	3:4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[5,6]-3:C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	H(C[6]Se[6]C[6]H)	Se[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	H(C[6]Se[6]C[6]H)	Se[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH){2|Se<2>,1|C<3>,2|H<1>}	107.5683	0.951	8	107.5683	0.904	8	106.7437	2.207	110	106.7437	2.207	110	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:2:1:1:	4:	4:3:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2	H(C[6]Se[6]C[6]H)	Se[6](C[6]C[6]HH)(C[6]C[6]S)	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|S<2>}	H(C[6]Se[6]C[6]H)	Se[6](C[6]C[6]HH)(C[6]C[6]S){1|Se<2>,1|S<2>,2|H<1>}	108.9162	0.428	4	108.9162	0.183	4	108.9162	0.183	4	108.9162	0.183	4	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:2:1:1:	4:	4:4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	H(C[6]Se[6]C[6]H)	Se[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]Se[6]C[6]H)	Se[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	109.3749	0.363	8	109.3743	0.086	12	109.3743	0.086	12	109.3743	0.086	12	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:2:1:1:	4:	4:4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	H(C[6]Se[6]C[6]H)	Se[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]Se[6]C[6]H)	Se[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	109.3730	0.091	4	109.3743	0.086	12	109.3743	0.086	12	109.3743	0.086	12	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:2:4:1:	4:	4:2:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:	C[6]-4:Se[6]-2:	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H)	H(C[6]Se[6]C[6]C)	Se[6](C[6]C[6]CH)(Se[6]C[6])	C[6](C[6]C[6]HN)(Se[6]Se[6])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]Se[6]C[6]C)	Se[6](C[6]C[6]CH)(Se[6]C[6]){1|N<3>,2|C<4>,2|H<1>}	107.7360	0.037	2	107.7360	0.001	2	107.7360	0.001	2	107.7360	0.001	2	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:2:4:1:	4:	4:4:	C[6]-4:Se[6]-2:C-4:H-1:	C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H)	H(C[6]Se[6]C[6]C)	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH)	C[6](C[6]C[6]HH)(Se[6]C[6])(CH3)(H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]Se[6]C[6]C)	Se[6](C[6]C[6a]Se[6]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	108.5815	0.118	2	108.5815	0.014	2	108.5815	0.014	2	108.5815	0.014	2	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:3:2:1:	4:	4:4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:	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)	H(C[6]C[6a]Se[6]P[6])	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>}	H(C[6]C[6a]Se[6]P[6])	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>}	108.3820	0.000	1	107.8357	0.345	3	107.8357	0.345	3	107.8357	0.345	3	107.1947	2.610	139	107.2313	2.461	149
466	951	975	0:SP3_SP-NON_SP3	C[6]	H	Se[6]	4:3:2:1:	4:	4:4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:	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)	H(C[6]C[6a]Se[6]P[6])	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>}	H(C[6]C[6a]Se[6]P[6])	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>}	107.5625	0.493	2	107.8357	0.345	3	107.8357	0.345	3	107.8357	0.345	3	107.1947	2.610	139	107.2313	2.461	149
466	951	979	0:SP3_SP-NON_SP2	C[6]	H	Si	3:4:3:1:	4:	4:4:4:	C[6]-3:C[6]-4:Si-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H)	H(C[6]C[6]2Si)	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]2Si)	Si(C[6]C[6]2H)(CCHH)2	106.4460	0.000	1	106.4460	0.000	1	106.4460	0.000	1	106.4460	0.000	1	107.1120	0.743	4	107.1120	0.743	4
466	951	979	0:SP3_SP-NON_SP2	C[6]	H	Si	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H)	H(C[6]C[6]2Si)	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(SiCC)(H){1|S<4>,2|C<3>}	H(C[6]C[6]2Si)	Si(C[6]C[6]2H)(CCHH)2	107.9740	0.000	1	107.9740	0.000	1	107.3340	0.818	3	107.3340	0.818	3	107.1120	0.743	4	107.1120	0.743	4
466	951	979	0:SP3_SP-NON_SP2	C[6]	H	Si	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	H(C[6]C[6]2Si)	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2Si)	Si(C[6]C[6]2H)(CCHH)2	106.2990	0.000	1	107.0140	1.022	2	107.3340	0.818	3	107.3340	0.818	3	107.1120	0.743	4	107.1120	0.743	4
466	951	979	0:SP3_SP-NON_SP2	C[6]	H	Si	4:4:3:1:	4:	4:4:4:	C[6]-4:C[6]-4:Si-3:H-1:	C[6]-4:	C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H)	H(C[6]C[6]2Si)	Si(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(SiCC)(H){1|C<4>,2|C<3>}	H(C[6]C[6]2Si)	Si(C[6]C[6]2H)(CCHH)2	107.7290	0.000	1	107.0140	1.022	2	107.3340	0.818	3	107.3340	0.818	3	107.1120	0.743	4	107.1120	0.743	4
466	951	980	0:SP3_SP-NON_SP3	C[6,6]	H	N[4,6,6]	4:4:1:1:	4:	4:4:4:1:	B[4,6,6]-4:N[4,6,6]-4:H-1:H-1:	C[6,6]-4:	B[4,6,6]-4:B[4,6,6]-4:C[6,6]-4:H-1:	C[6,6](B[4,6,6]N[4,6,6]2H)(N[4,6,6]B[4,6,6]2H)(H)2	H(C[6,6]B[4,6,6]N[4,6,6]H)	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H)	C[6,6](B[4,6,6]N[4,6,6]2H)(N[4,6,6]B[4,6,6]2H)(H)2{1|B<4>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]B[4,6,6]N[4,6,6]H)	N[4,6,6](B[4,6,6]N[4,6,6]C[6,6]H)2(C[6,6]B[4,6,6]HH)(H){1|C<4>,2|N<4>,6|H<1>}	108.5325	0.611	15	108.5325	0.373	15	108.5325	0.373	15	108.5325	0.373	15	108.5325	0.373	15	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6,6]	H	N[4]	4:4:4:1:	4:	4:4:4:3:	C[3x6]-4:C[3x6]-4:N[4]-4:H-1:	C[6,6]-4:	C[6,6]-4:Ga[4]-4:Ga[4]-4:N[6]-3:	C[6,6](C[3x6]C[6,6]2H)2(N[4]Ga[4]2N[6])(H)	H(C[6,6]C[3x6]2N[4])	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2)	C[6,6](C[3x6]C[6,6]2H)2(N[4]Ga[4]2N[6])(H){1|N<4>,8|C<4>,8|H<1>}	H(C[6,6]C[3x6]2N[4])	N[4](C[6,6]C[3x6]2H)(Ga[4]N[4]CC)2(N[6]C[6]2){1|N<3>,6|H<1>,7|C<4>}	104.2392	0.320	4	104.2392	0.102	4	104.2392	0.102	4	104.2392	0.102	4	104.2392	0.102	4	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,4,6]	4:4:1:1:	4:	4:3:4:4:	N[4,4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[3x4]-4:C[3x4]-3:C[6]-4:C[6]-4:	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2	H(C[6]N[4,4,6]C[6]H)	N[4,4,6](C[3x4]C[3,3,4,4]H[4,4]H)(C[3x4]C[3,3,4,4]H[4,4])(C[6]C[6]HH)2	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|C<6>,1|H<2>,3|H<1>}	H(C[6]N[4,4,6]C[6]H)	N[4,4,6](C[3x4]C[3,3,4,4]H[4,4]H)(C[3x4]C[3,3,4,4]H[4,4])(C[6]C[6]HH)2{1|C<4>,1|H<2>,1|O<2>,2|O<3>,4|H<1>}	109.1917	0.140	3	109.1917	0.019	3	109.1917	0.019	3	109.1917	0.019	3	109.1917	0.019	3	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,5]	4:4:4:1:	4:	4:4:4:3:	N[4,5]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:	Ga[4,5]-4:Ga[4,5]-4:C[6]-4:C[5]-3:	C[6](N[4,5]Ga[4,5]2C[5])(C[6]C[6]HH)2(H)	H(C[6]N[4,5]C[6]2)	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H)	C[6](N[4,5]Ga[4,5]2C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<4>,2|N<3>,5|H<1>}	H(C[6]N[4,5]C[6]2)	N[4,5](Ga[4,5]N[4,5]N[5]Cl)2(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,5|C<4>,5|H<1>}	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	106.5110	0.000	1	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,6]	4:4:1:1:	4:	3:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[4,5]-3:B[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]C[4,5]B[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	N[4,6](C[4,5]C[4,5]C[5])(B[4]C[4,5]FF)(C[6]C[6]HH)2	C[6](N[4,6]C[4,5]B[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|F<1>,4|H<1>}	H(C[6]N[4,6]C[6]H)	N[4,6](C[4,5]C[4,5]C[5])(B[4]C[4,5]FF)(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	109.1785	0.040	4	109.1785	0.002	4	109.1785	0.002	4	109.1785	0.002	4	108.9657	0.039	28	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,6]	4:4:1:1:	4:	4:4:4:3:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	B[4]-4:C[6]-4:C[6]-4:C[4]-3:	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B)	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[4,6]C[6]H)	N[4,6](B[4]C[6a]C[4]Cl)(C[6]C[6]HH)2(C[4]C[4]B){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	108.9961	0.146	8	108.9961	0.021	8	108.9961	0.021	8	108.9961	0.021	8	108.9657	0.039	28	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,6]	4:4:1:1:	4:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	B[4]-4:C[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	N[4,6](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(C[6]C[6]HH)2	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	H(C[6]N[4,6]C[6]H)	N[4,6](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(C[6]C[6]HH)2{3|C<4>,4|H<1>,6|C<3>}	108.7063	0.090	3	108.7063	0.008	3	108.7063	0.008	3	108.8973	0.043	16	108.9657	0.039	28	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,6]	4:4:1:1:	4:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[4,6,6]-4:B[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]N[4,6]C[6]H)	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{4|C<4>,5|C<3>,8|H<1>}	108.7123	0.049	3	108.7123	0.002	3	108.8412	0.021	6	108.8973	0.043	16	108.9657	0.039	28	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,6]	4:4:1:1:	4:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[4,6,6]-4:B[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]N[4,6]C[6]H)	N[4,6](C[4,6,6]C[4,6]C[6,6]C[6])(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<4>,5|C<3>,8|H<1>}	108.9700	0.027	3	108.9700	0.001	3	108.8412	0.021	6	108.8973	0.043	16	108.9657	0.039	28	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,6]	4:4:1:1:	4:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[4,6]-4:B[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	N[4,6](C[4,6]C[4,6]C[6]H)(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]N[4,6]C[6]H)	N[4,6](C[4,6]C[4,6]C[6]H)(B[4]C[4,6]C[6a]2)(C[6]C[6]HH)2{3|C<4>,4|C<3>,7|H<1>}	108.8603	0.047	4	108.8603	0.002	4	108.8603	0.002	4	108.8973	0.043	16	108.9657	0.039	28	108.4327	1.810	51
466	951	980	0:SP3_SP-NON_SP3	C[6]	H	N[4,6]	4:4:1:1:	4:	4:4:4:4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	Ga[4]-4:Ga[4]-4:C[6]-4:C[6]-4:	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,8|H<1>}	H(C[6]N[4,6]C[6]H)	N[4,6](Ga[4]N[4,6]HH)2(C[6]C[6]HH)2{3|C<4>,4|H<1>}	109.2500	0.046	3	109.2500	0.002	3	109.2500	0.002	3	108.8973	0.043	16	108.9657	0.039	28	108.4327	1.810	51
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:3:2:1:	4:	4:3:	C[3x6]-4:C[6,6]-3:C-2:H-1:	C[6,6]-4:	C[6,6]-4:C-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(CC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)	103.1850	0.000	1	103.1850	0.000	1	103.1850	0.000	1	103.1850	0.000	1	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	B[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]B[3x6]C[6,6]C)	C(C[6,6]B[3x6]C[6,6]H)(N)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]CH)(CN)(H){3|H<1>,4|C<3>}	H(C[6,6]B[3x6]C[6,6]C)	C(C[6,6]B[3x6]C[6,6]H)(N)	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(CN)(H){1|P<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	108.0835	0.750	2	108.0835	0.563	2	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6,6a]2P)(C[6,6]C[3x6]CH)(CN)(H){1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	109.0860	0.645	2	109.0860	0.416	2	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]CH)(CN)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	107.7090	0.000	1	107.7090	0.000	1	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	108.1410	0.000	1	108.1410	0.000	1	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	108.1110	0.000	1	108.1110	0.000	1	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(CN)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	109.6540	0.000	1	109.6540	0.000	1	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	108.1980	0.000	1	108.1980	0.000	1	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	108.8810	0.407	2	108.8810	0.166	2	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H)	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	C[6,6](C[3x6]C[6,6]N[6,6]O)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(N)	109.1550	0.000	1	109.1550	0.000	1	108.5891	0.466	12	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6,6]	H	C	4:4:2:1:	4:	4:1:	C[6,6]-4:C[6,6]-4:C-2:H-1:	C[6,6]-4:	C[6,6]-4:N-1:	C[6,6](C[6,6]C[6]2H)2(CN)(H)	H(C[6,6]C[6,6]2C)	C(C[6,6]C[6,6]2H)(N)	C[6,6](C[6,6]C[6]2H)2(CN)(H){1|N<3>,1|S<2>,8|H<1>}	H(C[6,6]C[6,6]2C)	C(C[6,6]C[6,6]2H)(N)	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	108.6244	0.410	14	108.2618	2.354	15	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	2:3:2:1:	4:	4:1:	O[6]-2:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(N)	C[6](O[6]C[5,6])(C[6]N[6]C)(CN)(H){1|Ni<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(N)	108.5835	0.499	2	108.5835	0.249	2	108.1947	0.578	3	108.1947	0.578	3	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	2:3:2:1:	4:	4:1:	O[6]-2:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(N)	C[6](O[6]C[6,6])(C[6]C[6]H)(CN)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(N)	107.4170	0.000	1	107.4170	0.000	1	108.1947	0.578	3	108.1947	0.578	3	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	2:3:2:1:	4:	4:2:	O[6]-2:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC[6a])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC)(H){3|C<3>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC[6a])	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	2:4:2:1:	4:	4:1:	O[6]-2:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(N)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CN)(H){3|C<3>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(N)	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	109.7660	0.000	1	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	2:4:2:1:	4:	4:2:	O[6]-2:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC[6a])	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CC)(H){1|O<1>,2|C<3>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC[6a])	109.0355	0.391	2	109.0355	0.153	2	109.0355	0.153	2	109.0355	0.153	2	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:2:2:1:	4:	4:2:	S[6]-3:S[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](S[6]C[6]O)(S[6]C[6])(CC)(H)	H(C[6]S[6]2C)	C(C[6]S[6]2H)(CC[6a])	C[6](S[6]C[6]O)(S[6]C[6])(CC)(H){1|C<4>,4|H<1>}	H(C[6]S[6]2C)	C(C[6]S[6]2H)(CC[6a])	112.9560	0.145	4	112.9560	0.021	4	112.9560	0.021	4	112.9560	0.021	4	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	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)	H(C[6]C[6,6a]N[6]C)	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>}	H(C[6]C[6,6a]N[6]C)	C(C[6]C[6,6a]N[6]H)(N)	108.3780	0.000	1	108.3780	0.000	1	107.9306	0.197	13	107.8758	0.192	16	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	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)	H(C[6]C[6,6a]N[6]C)	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>}	H(C[6]C[6,6a]N[6]C)	C(C[6]C[6,6a]N[6]H)(N)	106.6990	0.000	1	107.7933	0.333	6	107.9306	0.197	13	107.8758	0.192	16	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	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)	H(C[6]C[6,6a]N[6]C)	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>}	H(C[6]C[6,6a]N[6]C)	C(C[6]C[6,6a]N[6]H)(N)	108.0122	0.240	5	107.7933	0.333	6	107.9306	0.197	13	107.8758	0.192	16	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	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)	H(C[6]C[6,6a]N[6]C)	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>}	H(C[6]C[6,6a]N[6]C)	C(C[6]C[6,6a]N[6]H)(N)	107.8976	0.145	5	107.8976	0.021	5	107.9306	0.197	13	107.8758	0.192	16	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	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)	H(C[6]C[6,6a]N[6]C)	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>}	H(C[6]C[6,6a]N[6]C)	C(C[6]C[6,6a]N[6]H)(N)	108.4720	0.000	1	108.4720	0.000	1	107.9306	0.197	13	107.8758	0.192	16	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:1:	C[6]-3:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H){1|O<1>,2|C<4>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	107.8758	0.192	16	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:1:	N[6]-3:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	107.8515	0.180	2	107.8515	0.033	2	107.8515	0.033	2	107.8758	0.192	16	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:2:	C[5a,6]-3:C[6,6a]-3:C-2:H-1:	C[6]-4:	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)	H(C[6]C[5a,6]C[6,6a]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>}	H(C[6]C[5a,6]C[6,6a]C)	C(C[6]C[5a,6]C[6,6a]H)(CH)	107.9785	0.059	2	107.9785	0.003	2	107.9785	0.003	2	109.7082	9.819	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:2:	C[6,6a]-3:N[6]-3:C-2:H-1:	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)	H(C[6]C[6,6a]N[6]C)	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>}	H(C[6]C[6,6a]N[6]C)	C(C[6]C[6,6a]N[6]H)(CC[6a])	108.6270	0.420	2	108.6270	0.176	2	108.0240	1.179	3	109.7082	9.819	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:2:	C[6,6a]-3:N[6]-3:C-2:H-1:	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)	H(C[6]C[6,6a]N[6]C)	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>}	H(C[6]C[6,6a]N[6]C)	C(C[6]C[6,6a]N[6]H)(CC[6a])	106.8180	0.000	1	106.8180	0.000	1	108.0240	1.179	3	109.7082	9.819	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:2:	C[6]-3:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]C)2(CC)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CC[6a])	C[6](C[6]C[6]C)2(CC)(H){1|N<3>,2|C<4>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CC[6a])	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	109.7082	9.819	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:2:	N[6]-3:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(CC[6a])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(CC[6a])	107.5270	0.000	1	107.5270	0.000	1	112.1100	15.746	4	109.7082	9.819	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:2:	N[6]-3:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(CC)	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(CC)	113.6377	3.101	3	113.6377	9.616	3	112.1100	15.746	4	109.7082	9.819	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:3:2:1:	4:	4:4:	C[6]-3:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]H)2(CC)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CCHN)	C[6](C[6]C[6]H)2(CC)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CCHN)	96.4665	0.000	1	96.4665	0.000	1	96.4665	0.000	1	96.4665	0.000	1	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	C[5a,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H)	H(C[6]C[5a,6]C[6]C)	C(C[6]C[5a,6]C[6]H)(N)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CH)(CN)(H){2|C<3>,2|N<2>}	H(C[6]C[5a,6]C[6]C)	C(C[6]C[5a,6]C[6]H)(N)	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[5,6]C)	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>}	H(C[6]C[6,6a]C[5,6]C)	C(C[6]C[6,6a]C[5,6]H)(N)	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	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)	H(C[6]C[6,6a]C[6]C)	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>}	H(C[6]C[6,6a]C[6]C)	C(C[6]C[6,6a]C[6]H)(N)	108.8410	0.000	1	108.8410	0.000	1	108.4347	0.366	4	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	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)	H(C[6]C[6,6a]C[6]C)	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>}	H(C[6]C[6,6a]C[6]C)	C(C[6]C[6,6a]C[6]H)(N)	107.5350	0.000	1	107.5350	0.000	1	108.4347	0.366	4	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	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)	H(C[6]C[6,6a]C[6]C)	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>}	H(C[6]C[6,6a]C[6]C)	C(C[6]C[6,6a]C[6]H)(N)	108.6430	0.000	1	108.6815	0.003	2	108.4347	0.366	4	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	C[6,6a]-3:C[6]-4:C-2:H-1:	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)	H(C[6]C[6,6a]C[6]C)	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>}	H(C[6]C[6,6a]C[6]C)	C(C[6]C[6,6a]C[6]H)(N)	108.7200	0.000	1	108.6815	0.003	2	108.4347	0.366	4	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	H(C[6]N[5,6]C[6]C)	C(C[6]N[5,6]C[6]H)(N)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]C)	C(C[6]N[5,6]C[6]H)(N)	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H)	H(C[6]N[6,6]C[6]C)	C(C[6]N[6,6]C[6]H)(N)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]C)	C(C[6]N[6,6]C[6]H)(N)	103.8947	0.889	3	103.8947	0.790	3	105.0298	5.681	4	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H)	H(C[6]N[6,6]C[6]C)	C(C[6]N[6,6]C[6]H)(N)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]C)	C(C[6]N[6,6]C[6]H)(N)	108.4350	0.000	1	108.4350	0.000	1	105.0298	5.681	4	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:1:	N[6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H){2|C<3>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	107.2300	0.000	1	107.2300	0.000	1	107.2300	0.000	1	107.1780	4.302	12	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:2:	C[6,6a]-3:C[6,6]-4:C-2:H-1:	C[6]-4:	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)	H(C[6]C[6,6a]C[6,6]C)	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>}	H(C[6]C[6,6a]C[6,6]C)	C(C[6]C[6,6a]C[6,6]H)(CC[6a])	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	107.8968	1.434	5	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:2:	C[6,6a]-3:C[6]-4:C-2:H-1:	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)	H(C[6]C[6,6a]C[6]C)	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>}	H(C[6]C[6,6a]C[6]C)	C(C[6]C[6,6a]C[6]H)(CH)	108.0483	0.374	3	108.0483	0.140	3	108.0483	0.140	3	107.8968	1.434	5	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	3:4:2:1:	4:	4:2:	N[5,6]-3:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H)	H(C[6]N[5,6]C[6]C)	C(C[6]N[5,6]C[6]H)(CC)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CC)(H){3|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]C)	C(C[6]N[5,6]C[6]H)(CC)	109.2950	0.000	1	109.2950	0.000	1	109.2950	0.000	1	107.8968	1.434	5	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:1:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(N)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CN)(H){2|C<4>,3|H<1>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(N)	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:2:	C[5,6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H)	H(C[6]C[5,6]O[6]C)	C(C[6]C[5,6]O[6]H)(CC[6a])	C[6](C[5,6]C[5,6a]C[5]C[6])(O[6]C[6])(CC)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(C[6]C[5,6]O[6]C)	C(C[6]C[5,6]O[6]H)(CC[6a])	107.6020	0.000	1	107.6020	0.000	1	107.6020	0.000	1	108.2243	0.992	9	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(CC)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC)	106.9120	0.000	1	106.9120	0.000	1	108.4390	1.075	7	108.2243	0.992	9	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[5,6]HO)(O[6]C[6])(CC)(H){1|C<2>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CH)	109.5350	0.000	1	109.5350	0.000	1	108.4390	1.075	7	108.2243	0.992	9	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC[6a])	C[6](C[6]C[6]BrH)(O[6]C[6])(CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC[6a])	109.1380	0.000	1	109.1380	0.000	1	108.4390	1.075	7	108.2243	0.992	9	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[6]CH)(O[6]C[6])(CC)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CH)	109.4070	0.000	1	109.4070	0.000	1	108.4390	1.075	7	108.2243	0.992	9	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC)	C[6](C[6]C[6]HH)(O[6]C[6])(CC)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CC)	107.6940	0.561	2	107.6940	0.315	2	108.4390	1.075	7	108.2243	0.992	9	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:2:	C[6]-4:O[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H)	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CH)	C[6](C[6]C[6]HO)(O[6]C[6])(CC)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]C)	C(C[6]C[6]O[6]H)(CH)	108.6930	0.000	1	108.6930	0.000	1	108.4390	1.075	7	108.2243	0.992	9	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:2:2:1:	4:	4:2:	C[6]-4:S[6]-2:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]S[6]C)(S[6]C[6])(CC)(H)	H(C[6]C[6]S[6]C)	C(C[6]C[6]S[6]H)(CC[6a])	C[6](C[6]C[6]S[6]C)(S[6]C[6])(CC)(H){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]S[6]C)	C(C[6]C[6]S[6]H)(CC[6a])	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	108.2243	0.992	9	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[3,6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H)	H(C[6]C[3,6]C[6]C)	C(C[6]C[3,6]C[6]H)(N)	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[3,6]C[6]C)	C(C[6]C[3,6]C[6]H)(N)	107.7335	0.101	2	107.7335	0.010	2	107.7335	0.010	2	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[3,6]-4:N[6,6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	H(C[6]C[3,6]N[6,6]C)	C(C[6]C[3,6]N[6,6]H)(N)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[3,6]N[6,6]C)	C(C[6]C[3,6]N[6,6]H)(N)	107.4360	0.231	2	107.4360	0.053	2	107.4360	0.053	2	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[3,6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H)	H(C[6]C[3,6]N[6]C)	C(C[6]C[3,6]N[6]H)(N)	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[3,6]N[6]C)	C(C[6]C[3,6]N[6]H)(N)	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	H(C[6]C[5,6]N[6]C)	C(C[6]C[5,6]N[6]H)(N)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]C)	C(C[6]C[5,6]N[6]H)(N)	105.8080	0.000	1	105.8080	0.000	1	106.5875	1.215	2	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	H(C[6]C[5,6]N[6]C)	C(C[6]C[5,6]N[6]H)(N)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]C)	C(C[6]C[5,6]N[6]H)(N)	107.3670	0.000	1	107.3670	0.000	1	106.5875	1.215	2	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	106.4530	0.000	1	106.4530	0.000	1	106.7970	0.237	2	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6,6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6,6]O)(CN)(H){2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	107.1410	0.000	1	107.1410	0.000	1	106.7970	0.237	2	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CN)(H){1|H<1>,3|C<4>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	108.3880	0.000	1	108.3880	0.000	1	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(CN)(H){1|H<1>,4|C<3>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.6325	0.252	2	106.6325	0.064	2	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	105.1820	0.000	1	105.1820	0.000	1	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CN)(H){2|C<3>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.4530	0.000	1	106.4530	0.000	1	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){1|C<3>,2|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.8520	0.000	1	106.8565	0.000	2	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CC)(C[6]N[6]O)(CN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.8610	0.000	1	106.8565	0.000	2	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CN)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	107.0850	0.000	1	107.0850	0.000	1	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(CN)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.8630	0.000	1	106.8630	0.000	1	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.9370	0.000	1	102.0175	48.402	2	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CN)(H){2|H<1>,3|C<3>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	97.0981	0.000	1	102.0175	48.402	2	105.9076	9.086	11	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	106.8510	0.000	1	106.8510	0.000	1	106.9622	0.056	4	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	106.8960	0.000	1	106.8960	0.000	1	106.9622	0.056	4	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	106.7910	0.000	1	107.0510	0.135	2	106.9622	0.056	4	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:1:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(N)	107.3110	0.000	1	107.0510	0.135	2	106.9622	0.056	4	106.6393	4.791	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:2:	C[5,6]-4:C[6,6]-3:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H)	H(C[6]C[5,6]C[6,6]C)	C(C[6]C[5,6]C[6,6]H)(CC[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]C)	C(C[6]C[5,6]C[6,6]H)(CC[6a])	108.6425	0.353	2	108.6425	0.125	2	108.6425	0.125	2	107.8690	0.881	6	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:2:	C[6]-4:C[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(NSn)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(NSn)	106.6190	0.000	1	106.6190	0.000	1	106.6190	0.000	1	107.8690	0.881	6	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:2:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(CC[6a])	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(CC[6a])	108.2520	0.313	2	108.2520	0.098	2	107.7700	0.746	3	107.8690	0.881	6	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:3:2:1:	4:	4:2:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(CC[6a])	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(CC[6a])	106.8060	0.000	1	106.8060	0.000	1	107.7700	0.746	3	107.8690	0.881	6	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[4x6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H)	H(C[6]C[4x6]C[6]C)	C(C[6]C[4x6]C[6]H)(N)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CN)(H){2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]C)	C(C[6]C[4x6]C[6]H)(N)	108.0240	0.000	1	108.0240	0.000	1	108.0240	0.000	1	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CN)(H){2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	108.1150	0.000	1	108.1150	0.000	1	107.7558	0.325	8	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	107.9370	0.000	1	108.2443	0.101	3	107.7558	0.325	8	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CN)(H){1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	108.3980	0.247	2	108.2443	0.101	3	107.7558	0.325	8	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	106.9060	0.000	1	106.9060	0.000	1	107.7558	0.325	8	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	107.7830	0.000	1	107.7830	0.000	1	107.7558	0.325	8	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(CN)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	107.3000	0.000	1	107.3000	0.000	1	107.7558	0.325	8	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CN)(H){4|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(N)	107.2090	0.000	1	107.2090	0.000	1	107.7558	0.325	8	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	108.0890	0.000	1	108.0890	0.000	1	108.7257	0.223	6	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(CN)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	108.9280	0.000	1	108.9280	0.000	1	108.7257	0.223	6	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(CN)(H){2|H<1>,2|S<2>,3|C<4>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	109.1970	0.000	1	109.1970	0.000	1	108.7257	0.223	6	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(CN)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	108.4410	0.000	2	108.4410	0.000	2	108.7257	0.223	6	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[5,6]CH)(CN)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(N)	109.2580	0.000	1	109.2580	0.000	1	108.7257	0.223	6	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH)(H){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(H)	105.1080	0.000	1	105.1080	0.000	1	105.1080	0.000	1	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CN)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.5060	0.000	1	106.5060	0.000	1	107.9807	2.263	7	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.8210	0.000	1	106.8210	0.000	1	107.9807	2.263	7	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(CN)(H){2|C<3>,2|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	106.9560	0.000	1	106.9560	0.000	1	107.9807	2.263	7	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	108.0070	0.000	1	108.0070	0.000	1	107.9807	2.263	7	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CN)(H){2|C<4>,2|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	108.8780	0.000	1	108.8780	0.000	1	107.9807	2.263	7	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(N)	109.3485	2.112	2	109.3485	4.461	2	107.9807	2.263	7	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:1:	C[6]-4:N[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]C)	C(C[6]C[6]N[6]H)(H)	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.0097	1.290	24	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:2:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(CC)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(CC)	107.7760	0.000	1	107.7760	0.000	1	108.7182	1.065	4	108.0296	0.947	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:2:	C[5,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H)	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(CC)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CC)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]C)	C(C[6]C[5,6]C[6]H)(CC)	109.0323	1.003	3	109.0323	1.005	3	108.7182	1.065	4	108.0296	0.947	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:2:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(CC)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(CC)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(CC)	107.8740	0.000	1	107.8740	0.000	1	107.8505	0.001	2	108.0296	0.947	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:2:	C[6,6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H)	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(CH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]C)	C(C[6]C[6,6]C[6]H)(CH)	107.8270	0.000	1	107.8270	0.000	1	107.8505	0.001	2	108.0296	0.947	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CC[6a])	C[6](C[6]C[6]HH)2(CC)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CC[6a])	107.3190	0.000	1	107.3190	0.000	1	107.7733	0.260	3	108.0296	0.947	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CN)	C[6](C[6]C[6]HH)2(CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CN)	107.6760	0.000	1	107.6760	0.000	1	107.7733	0.260	3	108.0296	0.947	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CP)	C[6](C[6]C[6]HH)2(CC)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(CP)	108.3250	0.000	1	108.3250	0.000	1	107.7733	0.260	3	108.0296	0.947	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:2:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:N-2:	C[6](C[6]C[6]HH)2(CN)(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)(NSn)	C[6](C[6]C[6]HH)2(CN)(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)(NSn)	106.4020	0.000	1	106.4020	0.000	1	106.4020	0.000	1	108.0296	0.947	10	107.9023	4.894	130	107.9395	4.625	145
466	951	983	0:SP3_SP-NON_SP1	C[6]	H	C	4:4:2:1:	4:	4:4:	C[6]-4:C[6]-4:C-2:H-1:	C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(CC[6])(H)	H(C[6]C[6]2C)	C(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(CC[6])(H){1|C<4>,4|H<1>}	H(C[6]C[6]2C)	C(C[6]C[6]2H)2	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	107.9023	4.894	130	107.9395	4.625	145